count |
Species |
Name |
State |
Conformation |
1 |
H |
Hydrogen atom |
1S | Kh |
2 |
H- |
Hydrogen atom anion |
2S | Kh |
3 |
H+ |
Hydrogen atom cation |
| Kh |
4 |
D2 |
Deuterium diatomic |
1Σg | D∞h |
5 |
H2 |
Hydrogen diatomic |
1Σg | D∞h |
6 |
H2- |
hydrogen diatomic anion |
2Σu+ | D∞h |
7 |
HD |
Deuterium hydride |
1Σg | D∞h |
8 |
Li |
Lithium atom |
2S | Kh |
9 |
Li- |
Lithium atom anion |
1S | Kh |
10 |
Be |
Beryllium atom |
1S | Kh |
11 |
Mg |
Magnesium atom |
1S | Kh |
12 |
BeH |
beryllium monohydride |
2Σ | C∞v |
13 |
BeH2 |
beryllium dihydride |
1Σg | D∞h |
14 |
BeH2+ |
Beryllium dihydride cation |
2Σ | C∞v |
15 |
BeH2+ |
Beryllium dihydride cation |
2Σu | D∞h |
16 |
B |
Boron atom |
2P | Kh |
17 |
Al |
Aluminum atom |
2P | Kh |
18 |
Al- |
Aluminum atom anion |
3P | Kh |
19 |
Al+ |
Aluminum atom cation |
1S | Kh |
20 |
BH |
Boron monohydride |
1Σ | C∞v |
21 |
AlH |
aluminum monohydride |
1Σ | C∞v |
22 |
AlH- |
aluminum monohydride anion |
2Π | C∞v |
23 |
BH2 |
boron dihydride |
2A1 | C2v |
24 |
AlH2 |
aluminum dihydride |
2A1 | C2v |
25 |
BH3 |
boron trihydride |
1A1' | D3h |
26 |
BH3- |
boron trihydride anion |
2A2" | D3h |
27 |
BH3+ |
boron trihydride cation |
2E' | D3h |
28 |
BH3+ |
boron trihydride cation |
| C2v |
29 |
AlH3 |
aluminum trihydride |
1A1' | D3h |
30 |
AlH3- |
aluminum trihydride anion |
2A2" | D3h |
31 |
BH4- |
borohydride anion |
1A1 | Td |
32 |
C |
Carbon atom |
3P0 | Kh |
33 |
C- |
Carbon atom anion |
2D | Kh |
34 |
Si |
Silicon atom |
3P | Kh |
35 |
Si- |
Silicon atom anion |
4S | Kh |
36 |
Ge |
Germanium atom |
3P | Kh |
37 |
Ge- |
Germanium anion |
4S | Kh |
38 |
Ge+ |
Germanium cation |
2P | Kh |
39 |
Sn |
Tin atom |
| |
40 |
Sn+ |
Tin cation |
| |
41 |
CH |
Methylidyne |
2Π1/2 | C∞v |
42 |
SiH |
Silylidyne |
2Π | C∞v |
43 |
GeH |
germylidene |
2Π | C∞v |
44 |
CH2 |
Methylene |
3ΣG | D∞h |
45 |
CH2+ |
methylene cation |
2Π | D∞h |
46 |
SiH2 |
silicon dihydride |
1A1 | C2v |
47 |
GeH2 |
germylene |
1A1 | C2v |
48 |
GeH2- |
germylene anion |
2B1 | C2v |
49 |
CH3 |
Methyl radical |
2A1 | D3h |
50 |
SiH3 |
Silyl radical |
2A1 | C3v |
51 |
GeH3 |
Germyl radical |
2A1 | C3v |
52 |
GeH3+ |
germyl cation |
1A1' | D3h |
53 |
CH2D2 |
methane-d2 |
1A1 | C2v |
54 |
CH3D |
methane-d |
1A1 | C3v |
55 |
CH4 |
Methane |
1A1 | Td |
56 |
CH4- |
Methane anion |
2A1 | Td |
57 |
CH4- |
Methane anion |
2A1 | C3v |
58 |
CH4+ |
Methane cation |
2B1 | C2v |
59 |
CH4+ |
Methane cation |
2T2 | Td |
60 |
CHD3 |
methane-d3 |
1A1 | C3v |
61 |
SiH4 |
Silane |
1A1 | Td |
62 |
SiH5+ |
Silane, protonated |
| |
63 |
N |
Nitrogen atom |
4S | Kh |
64 |
P |
Phosphorus atom |
4S | Kh |
65 |
NH |
Imidogen |
3Σ- | C∞v |
66 |
NH |
Imidogen |
1Σ+ | C∞v |
67 |
PH |
phosphorus monohydride |
3Σ- | C∞v |
68 |
ND2 |
Amidogen-d2 |
2B1 | C2v |
69 |
NH2 |
Amino radical |
2B1 | C2v |
70 |
PH2 |
Phosphino radical |
2B1 | C2v |
71 |
ND3 |
Ammonia-d3 |
1A1 | C3v |
72 |
NH3 |
Ammonia |
1A1 | C3v |
73 |
NH3- |
Ammonia anion |
2A1 | C3v |
74 |
NH3+ |
ammonia cation |
2A2" | D3h |
75 |
PH3 |
Phosphine |
1A1 | C3v |
76 |
NH4 |
Ammonium radical |
| |
77 |
NH4+ |
ammonium cation |
1A1 | Td |
78 |
O |
Oxygen atom |
3S | Kh |
79 |
S |
Sulfur atom |
3P | Kh |
80 |
S |
Sulfur atom |
| |
81 |
S- |
Sulfur atom anion |
2P | Kh |
82 |
S+ |
Sulfur atom cation |
4S | Kh |
83 |
DO |
Hydroxyl-d |
2Π | C∞v |
84 |
DS |
Mercapto-d |
2Π | C∞v |
85 |
HS |
Mercapto radical |
2Π | C∞v |
86 |
CrH |
Chromium hydride |
6Σ | C∞v |
87 |
CrH+ |
Chromium hydride cation |
5Σ | C∞v |
88 |
HSe- |
selenium monohydride anion |
1Σ | C∞v |
89 |
D2O |
Deuterium oxide |
1A1 | C2v |
90 |
H2O- |
water anion |
2A1 | C2v |
91 |
HDO |
Water-d1 |
1A1 | C2v |
92 |
D2S |
Hydrogen sulfide-d2 |
1A1 | C2v |
93 |
H2S |
Hydrogen sulfide |
1A1 | C2v |
94 |
H2Se+ |
Hydrogen selenide cation |
2B1 | C2v |
95 |
H3O+ |
hydronium cation |
1A1 | C3v |
96 |
H3S+ |
Sulfonium cation |
1A1 | C3v |
97 |
F |
Fluorine atom |
2P | Kh |
98 |
F- |
Fluorine atom anion |
1S | Kh |
99 |
F+ |
Fluorine atom cation |
3S | Kh |
100 |
F+ |
Fluorine atom cation |
1D | Kh |
101 |
Cl |
Chlorine atom |
2P | Kh |
102 |
Cl- |
Chlorine atom anion |
1S | Kh |
103 |
Cl+ |
Chlorine atom cation |
3P | Kh |
104 |
Cl+ |
Chlorine atom cation |
1D | Kh |
105 |
Br |
Bromine atom |
2P | Kh |
106 |
Br- |
Bromine atom anion |
1S | Kh |
107 |
Br+ |
Bromine atom cation |
3P | Kh |
108 |
DF |
Hydrofluoric acid-d |
1Σ | C∞v |
109 |
HF |
Hydrogen fluoride |
1Σ | C∞v |
110 |
HF- |
hydrogen fluoride anion |
2Σ | C∞v |
111 |
HF+ |
hydrogen fluoride cation |
2Π | C∞v |
112 |
DCl |
Hydrochloric acid-d |
1Σ | C∞v |
113 |
HCl |
Hydrogen chloride |
1Σ | C∞v |
114 |
HCl- |
hydrogen chloride anion |
2Σ | C∞v |
115 |
HCl+ |
hydrogen chloride cation |
2Π | C∞v |
116 |
HBr |
hydrogen bromide |
1Σ | C∞v |
117 |
HBr- |
hydrogen bromide anion |
2Σ | C∞v |
118 |
HBr+ |
hydrogen bromide cation |
2Π | C∞v |
119 |
H2Cl+ |
dihydrogen monochloride cation |
1A1 | C2v |
120 |
H2Br+ |
protonated hydrogen bromide |
2A1 | C2v |
121 |
Xe |
Xenon atom |
1S | Kh |
122 |
Li2 |
Lithium diatomic |
1Σg | D∞v |
123 |
Mg2- |
magnesium diatomic anion |
2ΠU | D∞h |
124 |
Mg2+ |
magnesium diatomic cation |
2Σu | D∞h |
125 |
LiAl |
Lithium Aluminum |
| |
126 |
Al2 |
Aluminum diatomic |
3Σg | D∞h |
127 |
HBBH |
Diborane(2) |
3ΣG | D∞h |
128 |
HBHHBH |
Diborane(4) C2V |
1A1 | C2v |
129 |
B2H6+ |
Diborane cation |
| |
130 |
C2 |
Carbon diatomic |
1Σg+ | D∞h |
131 |
SiC |
silicon monocarbide |
3Σ | C∞v |
132 |
GeC |
Germanium monocarbide |
1Σ | C∞v |
133 |
C2H |
Ethynyl radical |
2Σ | C∞v |
134 |
ZnCH2 |
Zinc methylene |
1A1 | C2v |
135 |
C2H2 |
Acetylene |
1Σg | D∞h |
136 |
C2H2+ |
acetylene cation |
2Πu | D∞h |
137 |
C2H2+ |
acetylene cation |
| |
138 |
HCCH- |
acetylene anion |
| |
139 |
Si2H2 |
disilyne |
| |
140 |
Si2H2 |
disilyne |
| |
141 |
Si2H2 |
disilyne |
| |
142 |
Si2H2 |
disilyne |
| |
143 |
ZnCH3 |
Zinc monomethyl |
2A1 | C3v |
144 |
C2H3 |
vinyl |
2A' | Cs |
145 |
C2H3+ |
vinyl cation |
1A1 | C2V bridging H |
146 |
C2H3+ |
vinyl cation |
1A1 | C2V HCCH2 |
147 |
C2H4 |
Ethylene |
1Ag | D2h |
148 |
C2H4+ |
Ethylene cation |
2B3u | D2h |
149 |
Si2H4 |
Disilene |
| |
150 |
Si2H4 |
Disilene |
| |
151 |
Si2H4 |
Disilene |
| |
152 |
C2H5 |
Ethyl radical |
2A' | Cs |
153 |
C2H5+ |
Ethyl cation |
1A1 | C2v |
154 |
C2H6 |
Ethane |
1A1g | D3d |
155 |
C2H6 |
Ethane |
1A1' | D3h |
156 |
CH3SiH3 |
methyl silane |
1A1 | C3 |
157 |
Si2H6 |
disilane |
1Eu | D3d |
158 |
LiN |
Lithium Nitride |
3Σ | C∞v |
159 |
MgN |
Magnesium Nitride |
| |
160 |
GaAs |
Gallium arsenide |
1Σ | |
161 |
CN |
Cyano radical |
2Σ | C∞v |
162 |
CP |
Carbon monophosphide |
2Σ | C∞v |
163 |
SiN |
Silicon nitride |
2Σ | C∞v |
164 |
SiP |
Silicon monophosphide |
2Π | C∞v |
165 |
N2 |
Nitrogen diatomic |
1Σg | D∞h |
166 |
N2 |
Nitrogen diatomic |
| |
167 |
PN |
Phosphorus mononitride |
1Σ | C∞v |
168 |
P2 |
Phosphorus diatomic |
1Σg | D∞h |
169 |
HCN |
Hydrogen cyanide |
1Σ | C∞v |
170 |
HCN+ |
hydrogen cyanide cation |
2Π | C∞v |
171 |
HCP |
Phosphaethyne |
1Σ | C∞v |
172 |
HCP+ |
Phosphaethyne cation |
| |
173 |
HPO |
Hydrogen phosphorus oxide |
1A' | Cs |
174 |
LiNH2 |
lithium amide |
| |
175 |
H2NN |
Isodiazene |
| |
176 |
N2H2 |
(E)-diazene |
1Ag | C2h |
177 |
CH2NH |
Methanimine |
1A' | Cs |
178 |
CHNH2+ |
Aminocarbene cation |
| |
179 |
CH2NH2+ |
methyleneamine cation |
1A1 | C2v |
180 |
N2H4 |
Hydrazine |
1A | C2 |
181 |
P2H4 |
Diphosphine |
1A | C2 |
182 |
CH3NH2 |
methyl amine |
1A' | Cs |
183 |
CH3PH2 |
Methyl phosphine |
1A' | Cs |
184 |
SiH3NH2 |
Silane, amino |
| |
185 |
N2H5+ |
protonated hydrazine |
1A' | Cs |
186 |
CH3PH3+ |
methyl phosphine, protonated |
1A1 | C3v |
187 |
NH3NH3 |
Ammonia Dimer |
1Ag | C2h |
188 |
NH3NH3 |
Ammonia Dimer |
1A' | Cs |
189 |
N2H7+ |
ammonia ammonium dimer |
| |
190 |
LiO |
lithium oxide |
2Σ | C∞v |
191 |
LiS+ |
Lithium sulfide cation |
3Σ | C∞v |
192 |
BeO |
beryllium oxide |
1Σ | C∞v |
193 |
BeO+ |
Beryllium monoxide cation |
2Π | C∞v |
194 |
BeS |
beryllium sulfide |
1Σ | C∞v |
195 |
MgO |
magnesium oxide |
1Σ+ | C∞v |
196 |
BO |
boron monoxide |
2Σ | C∞v |
197 |
AlO |
Aluminum monoxide |
2Σ | C∞v |
198 |
BS |
boron sulfide |
2Σ | C∞v |
199 |
AlS |
Aluminum sulfide |
2Σ | C∞v |
200 |
CO |
Carbon monoxide |
1Σ | C∞v |
201 |
CS |
carbon monosulfide |
1Σ | C∞v |
202 |
SiO |
Silicon monoxide |
1Σ | C∞v |
203 |
SiS |
silicon monosulfide |
1Σ | C∞v |
204 |
GeO |
Germanium monoxide |
1Σ | C∞v |
205 |
NO |
Nitric oxide |
2Π | C∞v |
206 |
NS |
Mononitrogen monosulfide |
2Π | C∞v |
207 |
PS |
phosphorus sulfide |
2Σ | C∞v |
208 |
O2 |
Oxygen diatomic |
3Σg | D∞h |
209 |
O2- |
oxygen diatomic anion |
2Π | D∞h |
210 |
O2-- |
dioxygen dianion |
| |
211 |
SO |
Sulfur monoxide |
3Σ | C∞v |
212 |
SO |
Sulfur monoxide |
1Σ | C∞v |
213 |
S2 |
Sulfur diatomic |
3Σg | D∞h |
214 |
LiOH |
lithium hydroxide |
1Σ | C∞v |
215 |
BeOH |
beryllium monohydroxide |
2A' | Cs |
216 |
BeOH |
beryllium monohydroxide |
2Σ | C∞v |
217 |
MgOH |
magnesium hydroxide |
2A' | Cs |
218 |
HBO |
Boron hydride oxide |
1Σ | C∞v |
219 |
HBS |
hydrogen boron sulfide |
1Σ | C∞v |
220 |
HCO |
Formyl radical |
2A' | Cs |
221 |
HCO- |
formyl anion |
1A' | Cs |
222 |
HCO+ |
Formyl cation |
1Σ | C∞v |
223 |
HNO |
Nitrosyl hydride |
1A' | Cs |
224 |
HO2 |
Hydroperoxy radical |
2A" | Cs |
225 |
HSO+ |
Sulfur Monoxide, S-protonated |
| |
226 |
SOH |
Sulfur Hydroxide |
| |
227 |
SOH+ |
Sulfur Monoxide, protonated |
| |
228 |
H2CO |
Formaldehyde |
1A1 | C2v |
229 |
H2CO- |
formaldehyde anion |
2A' | Cs |
230 |
H2CO- |
formaldehyde anion |
| |
231 |
H2CS |
Thioformaldehyde |
1A1 | C2v |
232 |
H2NO |
nitroxide |
2B1 | C2v |
233 |
H2OO |
water oxide |
| |
234 |
H2S2 |
Disulfane |
1A | C2 |
235 |
CH2OH |
Hydroxymethyl radical |
2A | C1 |
236 |
CH3O |
Methoxy radical |
2A' | C1 |
237 |
CH3S |
thiomethoxy |
2A' | C3v |
238 |
NH2OH |
hydroxylamine |
1A' | Cs |
239 |
NH2SH |
Thiohydroxylamine |
| |
240 |
CH3OH |
Methyl alcohol |
1A' | Cs |
241 |
CH3OH- |
Methyl alcohol anion |
2A' | CS eclipsed |
242 |
CH3OH+ |
Methyl alcohol cation |
2A" | Cs |
243 |
CH3SH |
Methanethiol |
1A' | Cs |
244 |
CH3SH+ |
Methanethiol cation |
2A" | Cs |
245 |
SiH3OH |
silanol |
| |
246 |
NH2OH2+ |
protonated hydroxylamine |
| |
247 |
NH3OH+ |
N-protonated hydroxylamine |
| |
248 |
H2OH2O |
water dimer |
1A' | Cs |
249 |
CH3SH2+ |
protonated methylsulfide |
1A' | Cs |
250 |
H5O2+ |
Dihydroxonium ion |
1A | C2 |
251 |
LiF |
lithium fluoride |
1Σ | C∞v |
252 |
LiCl |
lithium chloride |
1Σ | C∞v |
253 |
LiBr |
Lithium Bromide |
1Σ | C∞v |
254 |
LiI |
Lithium Iodide |
| |
255 |
LiF+ |
lithium fluoride cation |
2Π | C∞v |
256 |
BeF |
Beryllium monofluoride |
2Σ | C∞v |
257 |
BeCl |
beryllium monochloride |
2Σ | C∞v |
258 |
BF |
Boron monofluoride |
1Σ | C∞v |
259 |
AlF |
Aluminum monofluoride |
1Σ+ | C∞v |
260 |
BCl |
boron monochloride |
1Σ | C∞v |
261 |
CF |
Fluoromethylidyne |
2Π | C∞v |
262 |
CCl |
carbon monochloride |
2Π | C∞v |
263 |
SiF |
silicon monofluoride |
2Π | C∞v |
264 |
SiCl |
Clorosilylidyne |
2Π | C∞v |
265 |
CBr |
Carbon monobromide |
2Π | C∞v |
266 |
GeF |
Germanium monofluoride |
2Π | C∞v |
267 |
GeCl |
Germanium monochloride |
2Π | C∞v |
268 |
GeCl+ |
Germanium monochloride cation |
| |
269 |
NF |
nitrogen fluoride |
3Σ | C∞v |
270 |
NCl |
nitrogen monochloride |
3Σ | C∞v |
271 |
PF |
phosphorus monofluoride |
3Σ | C∞v |
272 |
PCl |
phosphorus chloride |
3Σ | C∞v |
273 |
FO |
Oxygen monofluoride |
2Π | C∞v |
274 |
ClO |
Monochlorine monoxide |
2Π | C∞v |
275 |
ClO+ |
chlorine monoxide cation |
3Σ | C∞v |
276 |
SF |
Monosulfur monofluoride |
2Π | C∞v |
277 |
SF+ |
sulfur monofluoride cation |
3Σ | C∞v |
278 |
SCl |
sulfur monochloride |
2Π | C∞v |
279 |
SCl+ |
sulfur monochloride cation |
3Σg | C∞v |
280 |
BrO |
Bromine monoxide |
2Π | C∞v |
281 |
BrO+ |
Bromine monoxide cation |
| |
282 |
SBr |
Sulfur monobromide radical |
| |
283 |
SBr+ |
Sulfur monobromide cation |
| |
284 |
IO |
Iodine monoxide |
| |
285 |
BrCl |
Bromine monochloride |
1Σ | C∞v |
286 |
F2 |
Fluorine diatomic |
1Σg | D∞h |
287 |
ClF |
Chlorine monofluoride |
1Σ+ | C∞v |
288 |
Cl2 |
Chlorine diatomic |
1Σg | D∞h |
289 |
BrF |
Bromine monofluoride |
1Σ | C∞v |
290 |
Br2 |
Bromine diatomic |
1Σg | D∞h |
291 |
Br2- |
bromine diatomic anion |
2Σu | D∞h |
292 |
Br2+ |
bromine diatomic cation |
2Πg | D∞h |
293 |
I2 |
Iodine diatomic |
1Σg | D∞h |
294 |
I2+ |
Iodine diatomic cation |
2Πg | D∞v |
295 |
HCF |
Fluoromethylene |
1A' | Cs |
296 |
HSiF |
fluorosilylene |
| |
297 |
HSiCl |
Chlorosilylene |
| |
298 |
HSiBr |
monobromosilylene |
| |
299 |
HOF |
Hypofluorous acid |
1A' | Cs |
300 |
DOCl |
Hypochlorous acid-d |
1A' | Cs |
301 |
HOCl |
hypochlorous acid |
1A' | Cs |
302 |
HOBr |
Hypobromous acid |
1A' | Cs |
303 |
ClFH+ |
Chlorine fluoride, F-protonated |
| |
304 |
FClH+ |
Chlorine fluoride, Cl-protonated |
| |
305 |
Cl2H+ |
Chlorine, protonated |
1A' | Cs |
306 |
CH2Br |
bromomethyl radical |
| |
307 |
CH2F+ |
fluoromethyl cation |
| |
308 |
CH2Cl+ |
chloromethyl cation |
| |
309 |
CH2Cl |
chloromethyl radical |
2A' | Cs |
310 |
CH2Cl |
chloromethyl radical |
2B1 | C2v |
311 |
H2F2 |
Hydrogen fluoride dimer |
1Ag | Cs |
312 |
CH3F+ |
methyl fluoride cation |
| |
313 |
CH3F |
Methyl fluoride |
1A1 | C3v |
314 |
CH3Cl |
Methyl chloride |
1A1 | C3v |
315 |
SiH3F |
monofluorosilane |
1A1 | C3v |
316 |
SiH3Cl |
chlorosilane |
1A1 | C1 |
317 |
CH3Br |
methyl bromide |
1A1 | C3v |
318 |
GeH3F |
monofluorogermane |
| |
319 |
GeH3Cl |
monochlorogermane |
| |
320 |
NH3Cl+ |
protonated monochloroammonia |
| |
321 |
CH3ClH+ |
methyl chloride, protonated |
| |
322 |
NH4Cl |
Ammonium chloride |
| |
323 |
Ar2 |
Argon diatomic |
1Sg | D∞h |
324 |
C3 |
carbon trimer |
1Σg | D∞h |
325 |
C3 |
carbon trimer |
1A1 | C2v |
326 |
C3+ |
carbon trimer cation |
2Σu | D∞h |
327 |
SiC2 |
Silicon dicarbide |
| |
328 |
C3H3 |
Propargyl radical |
2B1 | Cs |
329 |
CH2CCH2 |
allene |
1A1 | D2d |
330 |
CH3CCH |
propyne |
1A' | C3v |
331 |
C3H6 |
Cyclopropane |
1A1' | D3h |
332 |
CH2CHCH3 |
Propene |
1A' | Cs |
333 |
C3H7 |
n-Propyl radical |
2A" | C1 |
334 |
C3H7+ |
cyclopropane, protonated |
| |
335 |
CH3CHCH3 |
Isopropyl radical |
2A | C2 |
336 |
C3H8 |
Propane |
1A1 | C2v |
337 |
LiCN |
lithium cyanide |
1A' | Cs |
338 |
AlCN |
Aluminum monocyanide |
| |
339 |
AlNC |
Aluminum isocyanide |
| |
340 |
CNN |
Diazocarbene |
| |
341 |
HCCN |
cyanomethylene |
3Σ | C∞v |
342 |
HN3 |
hydrogen azide |
1A' | Cs |
343 |
HN3+ |
Hydrazoic acid cation |
| |
344 |
NH2CN |
cyanamide |
1A1 | C2v |
345 |
HNNNH+ |
1,2-Triazadienium |
| |
346 |
NH2NN+ |
hydrazoic acid, protonated |
| |
347 |
CH3CN |
Acetonitrile |
1A1 | C3v |
348 |
CH3CN- |
acetonitrile anion |
2E | C3v |
349 |
CH3CN- |
acetonitrile anion |
2A' | Cs |
350 |
HCNCH2+ |
2H-Azirine cation |
| |
351 |
HNCNH2+ |
diiminomethane, protonated |
1A' | Cs |
352 |
NCNH3+ |
Cyanamide, protonated |
1A1 | C3v |
353 |
NH2CNH+ |
cyanamide, cn protonated |
| |
354 |
NH3CN+ |
cyanamide, amine protonated |
| |
355 |
C2H5N |
Aziridine |
1A' | C1 |
356 |
C2H5NH+ |
Protonated Aziridine |
1A1 | C2v |
357 |
C2H6N+ |
aziridine, protonated |
1A1 | C2v |
358 |
NH2CH2NH2 |
diaminomethane |
1A1 | C2v |
359 |
CH3CH2NH2 |
Ethylamine |
1A' | Cs |
360 |
CH3CH2NH2 |
Ethylamine |
| |
361 |
CH3NHCH3 |
Dimethylamine |
1A' | Cs |
362 |
(CH3)2NH2+ |
dimethylammonium cation |
1A1 | C2v |
363 |
CH3CH2NH3+ |
ethylamine, protonated |
1A' | Cs |
364 |
Li2O |
dilithium oxide |
1Σg | D∞h |
365 |
LiO2 |
Lithium dioxide |
| |
366 |
BO2 |
Boron dioxide |
2A' | D∞h |
367 |
N2O |
Nitrous oxide |
1Σ | C∞v |
368 |
CO2 |
Carbon dioxide |
1Σg | D∞h |
369 |
OCS |
Carbonyl sulfide |
1Σ | C∞v |
370 |
SiO2 |
silicon dioxide |
1Σg | D∞h |
371 |
CS2 |
Carbon disulfide |
1Σg | D∞h |
372 |
CS2- |
Carbon disulfide anion |
2A1 | C2v |
373 |
CS2+ |
Carbon disulfide cation |
2Π | D∞h |
374 |
GeO2 |
Germanium dioxide |
1Σg | D∞h |
375 |
NO2 |
Nitrogen dioxide |
2A1 | C2v |
376 |
NSO |
sulfinyl amidogen |
| |
377 |
PO2 |
Phosphorus dioxide |
2A1 | C2v |
378 |
SNO |
Nitrogen oxide sulfide |
| |
379 |
O3 |
Ozone |
1A1 | Cs |
380 |
SO2 |
Sulfur dioxide |
1A1 | C2v |
381 |
SSO |
Disulfur monoxide |
1A' | Cs |
382 |
HCCO |
ketenyl radical |
2Π | C∞v |
383 |
HCCO |
ketenyl radical |
2A" | Cs |
384 |
HCNO |
fulminic acid |
1Σ | C∞v |
385 |
HNCO |
Isocyanic acid |
1A' | Cs |
386 |
HCO2- |
formate anion |
1A1 | C2v |
387 |
HNO2 |
Nitrous acid |
1A' | Cs |
388 |
O3H+ |
protonated ozone |
1A' | Cs |
389 |
O3H+ |
protonated ozone |
| |
390 |
SO2H+ |
protonated sulfur dioxide |
1A' | Cs |
391 |
C2H2O |
Oxirene |
1A1 | C2v |
392 |
CH2CO |
Ketene |
1A1 | C2v |
393 |
HCCOH |
ethynol |
1A' | Cs |
394 |
CH2CS |
Thioketene |
| |
395 |
Be(OH)2 |
Beryllium hydroxide |
| |
396 |
Be(OH)2 |
Beryllium hydroxide |
| |
397 |
HCOOH |
Formic acid |
1A' | Cs |
398 |
HCOOH |
Formic acid |
| |
399 |
H2O3 |
Hydrogen trioxide |
1A | C2 |
400 |
BH3CO |
Borane carbonyl |
1A1 | C3v |
401 |
CHONH2 |
formamide |
1A' | Planar |
402 |
CH3OO+ |
methylperoxy cation |
1A' | Cs |
403 |
C2H4O |
Ethylene oxide |
1A1 | C2v |
404 |
CH2CHOH |
ethenol |
1A' | Cs |
405 |
CH3CHO |
Acetaldehyde |
1A' | Cs |
406 |
C2H4S |
Thiirane |
1A1 | C2v |
407 |
CH3CHS |
Thioacetaldehyde |
1A' | C1 |
408 |
H2CONH2+ |
protonated formamide |
1A' | Cs |
409 |
NH2CHOH+ |
Formamide, O-protonated |
| |
410 |
CH3OOH |
Methyl peroxide |
1A | C1 |
411 |
CH3SSH |
Hydrogen methyl disulfide |
| |
412 |
HSCH2SH |
Methanedithiol |
| |
413 |
C2H4OH+ |
ethylene oxide, protonated |
1A' | Cs |
414 |
CH3CH2OH |
Ethanol |
1A' | Cs |
415 |
CH3OCH3 |
Dimethyl ether |
1A1 | C2v |
416 |
CH3CH2SH |
ethanethiol |
1A' | Cs |
417 |
CH3CH2SH |
ethanethiol |
1A | C1 |
418 |
CH3SCH3 |
Dimethyl sulfide |
1A1 | C2v |
419 |
CH3SCH3+ |
dimethyl sulfide cation |
| |
420 |
FCN |
Cyanogen fluoride |
1Σ | C∞v |
421 |
ClCN |
chlorocyanogen |
1Σ | C∞v |
422 |
BrCN |
Cyanogen bromide |
1Σ | C∞v |
423 |
ICN |
Cyanogen iodide |
1Σ | C∞v |
424 |
FBO |
Boron monofluoride monoxide |
| |
425 |
BeBr2 |
Beryllium bromide |
| |
426 |
FNO |
Nitrosyl fluoride |
1A' | Cs |
427 |
ClNO |
Nitrosyl chloride |
1A' | Cs |
428 |
CF2 |
Difluoromethylene |
1A1 | D∞h |
429 |
SiF2 |
Silicon difluoride |
1A1 | C2v |
430 |
CCl2 |
dichloromethylene |
1A1 | C2v |
431 |
SiCl2 |
Dichlorosilylene |
1A1 | C2v |
432 |
GeCl2 |
Germanium dichloride |
1A1 | C2v |
433 |
FOO |
Dioxygen monofluoride radical |
2A" | Cs |
434 |
FOO+ |
Fluorine dioxide cation |
| |
435 |
ClOO |
chloroperoxy radical |
2A" | Cs |
436 |
OClO |
Chlorine dioxide |
2B1 | D∞h |
437 |
BrOO |
Bromine dioxide |
| |
438 |
NF2 |
Difluoroamino radical |
2B1 | C2v |
439 |
PF2 |
Phosphorus difluoride |
| |
440 |
PF2+ |
Phosphorus difluoride cation |
| |
441 |
F2O |
Difluorine monoxide |
1A1 | C2v |
442 |
SF2 |
sulfur difluoride |
1A1 | C2v |
443 |
SF2- |
sulfur difluoride anion |
2A' | Cs |
444 |
SF2- |
sulfur difluoride anion |
2Π | D∞h |
445 |
Cl2O |
Dichlorine monoxide |
1A1 | C2v |
446 |
SCl2 |
Sulfur dichloride |
1A1 | C2v |
447 |
SBr2 |
Sulfur dibromide |
| |
448 |
SeBr2 |
Selenium dibromide |
| |
449 |
F3- |
trifluoride anion |
1Σg | D∞h |
450 |
F3- |
trifluoride anion |
1Σ | C∞v |
451 |
Cl3- |
trichloride anion |
1Σg | D∞h |
452 |
Br3- |
tribromide anion |
| |
453 |
HCCF |
Fluoroacetylene |
1Σ | C∞v |
454 |
BHF2 |
Difluoroborane |
1A1 | C2v |
455 |
BHCl2 |
Borane, dichloro- |
1A1 | C2v |
456 |
CHF2 |
difluoromethyl radical |
2A | Cs |
457 |
CHF2+ |
difluoromethyl cation |
| |
458 |
CHFCl |
Chlorofluoromethyl radical |
| |
459 |
CHFCl+ |
Chlorofluoromethyl cation |
| |
460 |
CHCl2+ |
dichloromethyl cation |
| |
461 |
CHBr2 |
dibromomethyl radical |
| |
462 |
CH2F2 |
Methane, difluoro- |
1A1 | C2v |
463 |
SiH2F2 |
difluorosilane |
| |
464 |
CH2Cl2 |
Methylene chloride |
1A1 | C2v |
465 |
CH2BrCl |
Methane, bromochloro- |
1A' | Cs |
466 |
CH2FI |
fluoroiodomethane |
| |
467 |
CH2Br2 |
dibromomethane |
1A1 | C2v |
468 |
CH2ClI |
chloroiodomethane |
| |
469 |
CH2I2 |
Diiodomethane |
| |
470 |
SiH2Cl2 |
dichlorosilane |
1A1 | C2v |
471 |
CH3MgBr |
Methyl Magnesium Bromide |
| |
472 |
CH2CHF |
Ethene, fluoro- |
1A' | Cs |
473 |
C2H3Cl |
Ethene, chloro- |
1A' | Cs |
474 |
C2H3Br |
vinyl bromide |
1A' | Cs |
475 |
C2H3I |
Vinyl iodide |
| |
476 |
CH2FOH |
fluoromethanol |
| |
477 |
CH2CH2Cl |
2-chloroethyl radical |
2A' | Cs |
478 |
C2H5F |
fluoroethane |
1A' | Cs |
479 |
CH3CH2Cl |
Ethyl chloride |
1A' | Cs |
480 |
C2H5Br |
Ethyl bromide |
1A' | Cs |
481 |
C2H5I |
Ethyl iodide |
| |
482 |
B4H10 |
Tetraborane(10) |
1A1 | C2v |
483 |
C4 |
Carbon tetramer |
3Σg | D∞h |
484 |
C4 |
Carbon tetramer |
| |
485 |
C4+ |
Carbon tetramer cation |
2Πg | D∞h |
486 |
C4H2 |
Diacetylene |
1Σg | D∞h |
487 |
C4H2+ |
diacetlyene cation |
2Πg | D∞h |
488 |
C2H3CCH |
1-Buten-3-yne |
1A' | C1 |
489 |
C4H4 |
Tetrahedrane |
| |
490 |
H2CCCCH2 |
Butatriene |
1Ag | D2h |
491 |
C4H6 |
1-Methylcyclopropene |
1A | C1 |
492 |
C4H6 |
Cyclobutene |
1A1 | C2v |
493 |
C4H6 |
Methylenecyclopropane |
1A1 | C2v |
494 |
CH2CCHCH3 |
1,2-Butadiene |
1A' | C1 |
495 |
CH2CHCHCH2 |
1,3-Butadiene |
1Ag | C2h |
496 |
CH3CCCH3 |
2-Butyne |
1A1' | D3h |
497 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1A1 | C2v |
498 |
CH3CHCHCH3 |
2-Butene, (E)- |
1Ag | C2h |
499 |
CH3CHCHCH3 |
2-Butene, (Z)- |
1A1 | C2v |
500 |
Al(CH3)3 |
trimethyl aluminum |
1A' | C3h |
501 |
C(CH3)3 |
Tert-butyl radical |
2A" | C3v |
502 |
CH2CH(CH3)2 |
Isobutyl radical |
2A' | C1 |
503 |
CH3CHCH2CH3 |
2-Butyl radical |
1A | C1 |
504 |
CH3CH(CH3)CH3 |
Isobutane |
1A1 | C3v |
505 |
CH3CH2CH2CH3 |
Butane |
1Ag | Anti |
506 |
CH3CH2CH2CH3 |
Butane |
1A | Gauche |
507 |
C2N2 |
Cyanogen |
1Σg | D∞h |
508 |
C2N2+ |
Cyanogen cation |
2Πg | D∞h |
509 |
P4 |
Phosphorus tetramer |
1A1 | Td |
510 |
H2CNCN |
cyanamide, methylene |
| |
511 |
HNCCNH |
Ethenediimine |
| |
512 |
C3H3N |
acrylonitrile |
1A' | Cs |
513 |
C3H3N+ |
acrylonitrile cation |
2A" | Cs |
514 |
NH2CCNH2 |
Diaminoacetylene |
1A1 | D2d |
515 |
CH3NHN2+ |
methyl azide, protonated |
1A | C1 |
516 |
C2H5CN |
ethyl cyanide |
1A' | Cs |
517 |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
1A1 | C2v |
518 |
H2NCHCHNH2 |
diaminoethylene |
| |
519 |
C3H7N |
Cyclopropylamine |
1A' | C1 |
520 |
C4H8 |
cyclobutane |
1A1 | D2d |
521 |
C2H8N2 |
Ethylenediamine |
1Ag | C2h |
522 |
CH3CH(NH2)CH3 |
2-Propanamine |
1A' | Cs |
523 |
N(CH3)3 |
Trimethylamine |
1A1 | C3v |
524 |
N(SiH3)3 |
trisilylamine |
| |
525 |
(CH3)3NH+ |
protonated trimethyl amine |
| |
526 |
C3H7NH3+ |
n-propylamine, protonated |
1A' | Cs |
527 |
B2O2 |
Diboron dioxide |
1Σg | D∞h |
528 |
ONNO |
NO dimer |
1Ag | trans C2H |
529 |
ONNO |
NO dimer |
1A1 | cis C2V |
530 |
S2N2 |
Disulfur dinitride |
1AG | D2h |
531 |
CS3-- |
Carbonotrithioate |
| |
532 |
NO3 |
Nitrogen trioxide |
2A1' | all bonds equal |
533 |
NO3+ |
nitrogen trioxide cation |
1A1 | C2v |
534 |
SO3 |
Sulfur trioxide |
1A1' | D3h |
535 |
SO3-- |
Sulfate dianion |
| |
536 |
SO3+ |
Sulfur trioxide cation |
2A2' | D3h |
537 |
S4 |
Sulfur tetramer |
| |
538 |
S4 |
Sulfur tetramer |
| |
539 |
S4 |
Sulfur tetramer |
| |
540 |
HCO3- |
bicarbonate anion |
| |
541 |
HNO3 |
Nitric acid |
1A' | Cs |
542 |
C3H2O |
Propadienal |
| |
543 |
C3H2O |
Propadienal |
| |
544 |
C2H2O2 |
Ethanedial |
1Ag | C2h |
545 |
CH3NCO |
methylisocyante |
| |
546 |
CH3NO2 |
Methane, nitro- |
1A' | Cs |
547 |
CH3ONO |
Methyl nitrite |
1A' | C1 |
548 |
NH2COOH |
Carbamic acid |
1A' | Cs |
549 |
C3H4O |
Cyclopropanone |
1A1 | C2v |
550 |
CH2CHCHO |
Acrolein |
1A' | Cs |
551 |
CH2CHCHO |
Acrolein |
| |
552 |
NH2CONH2 |
Urea |
1A | C2 |
553 |
NH2CONH2 |
Urea |
1A' | Cs |
554 |
NH2CONH2 |
Urea |
1A1 | C2v |
555 |
NH2CSNH2 |
Thiourea |
1A | C2 |
556 |
CH3OCHO |
methyl formate |
1A' | Cs |
557 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1A | C1 |
558 |
NH3COOH+ |
protonated Carbamic acid |
1A' | Cs |
559 |
CH2C(OH)NH2 |
1-amino vinyl alchohol |
| |
560 |
CH3C(OH)=NH |
Ethaninidic acid |
| |
561 |
CH3CHNOH |
Acetaldoxime |
1A' | CS trans |
562 |
CH3CONH2 |
Acetamide |
1A' | C1 |
563 |
CH3CSNH2 |
Ethanethioamide |
| |
564 |
CH5N2O+ |
urea, N-protonated |
1A' | Cs |
565 |
H2NCOHNH2+ |
urea, protonated |
1A' | Cs |
566 |
C3H6O |
Propylene oxide |
1A | C1 |
567 |
CH3CH2CHO |
Propanal |
1A' | Cs |
568 |
CH3COCH3 |
Acetone |
1A1 | C2v |
569 |
CH3COCH3- |
acetone anion |
2A' | Cs |
570 |
C3H6S |
Thietane |
1A' | Cs |
571 |
C3H6S |
Thiirane, methyl- |
1A | C1 |
572 |
C2H6O2 |
1,2-Ethanediol |
1Ag | C2h |
573 |
CH3OOCH3 |
dimethylperoxide |
1Ag | C2h |
574 |
CH3SOCH3 |
Dimethyl sulfoxide |
1A' | Cs |
575 |
CH2SHCH2SH |
1,2-Ethanedithiol |
1Ag | C2h |
576 |
CH3SSCH3 |
Disulfide, dimethyl |
1A | C2 |
577 |
C3H7OH |
1-Propanol |
| |
578 |
CH3CHOHCH3 |
Isopropyl alcohol |
1A | C1 |
579 |
CH3OC2H5 |
Ethane, methoxy- |
1A' | Cs |
580 |
C3H7SH |
1-Propanethiol |
1A' | Cs |
581 |
CH3CHSHCH3 |
2-Propanethiol |
1A' | Cs |
582 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1A' | Cs |
583 |
Li2F2 |
Lithium fluoride dimer |
| |
584 |
C2F2 |
difluoroacetylene |
1Σg | D∞h |
585 |
ClNO2 |
Nitryl chloride |
1A1 | C2v |
586 |
N2F2 |
(Z)-Difluorodiazene |
1A1 | C2v |
587 |
N2F2 |
Dinitrogen difluoride, (E)- |
1Ag | C2h |
588 |
CF2O |
Carbonic difluoride |
1A1 | C2v |
589 |
CF2O+ |
Carbonic difluoride cation |
| |
590 |
CCl2O |
Phosgene |
1A1 | C2v |
591 |
BF3 |
Borane, trifluoro- |
1A' | D3h |
592 |
BF3- |
Borane, trifluoro- anion |
2A1 | D3h |
593 |
BF3+ |
boron trifluoride cation |
2A2' | D3h |
594 |
BF3+ |
boron trifluoride cation |
| |
595 |
AlF3 |
Aluminum trifluoride |
1A1' | D3h |
596 |
BClF2 |
Chlorodifluoroborane |
| |
597 |
AlF2Cl |
Aluminum chloride difluoride |
1A1 | C2v |
598 |
AlFCl2 |
Aluminum dichloride fluoride |
1A1 | C2v |
599 |
BCl3 |
Borane, trichloro- |
1A1' | D3h |
600 |
BCl3+ |
Boron Trichloride cation |
| |
601 |
AlCl3 |
Aluminum trichloride |
1A1' | D3h |
602 |
CF3 |
Trifluoromethyl radical |
2A1 | C3v |
603 |
CF2Cl |
difluorochloromethyl radical |
| |
604 |
CFCl2 |
dichlorofluoromethyl radical |
| |
605 |
CBr3 |
tribromomethyl radical |
| |
606 |
SOCl2 |
thionyl chloride |
1A' | Cs |
607 |
NF3 |
Nitrogen trifluoride |
1A1 | C3v |
608 |
PF3 |
Phosphorus trifluoride |
1A1 | C3v |
609 |
PCl3 |
Phosphorus trichloride |
1A1 | C3v |
610 |
NBr3 |
Nitrogen Tribromide |
1A1 | C3v |
611 |
NI3 |
Nitrogen triiodide |
| |
612 |
PI3 |
Phosphorus triiodide |
| |
613 |
ClSSCl |
Disulfur dichloride |
1A | C2 |
614 |
HClO3 |
Chloric Acid |
1A | C1 |
615 |
CHF3 |
Methane, trifluoro- |
1A1 | C3v |
616 |
CHF2Cl |
difluorochloromethane |
1A' | Cs |
617 |
SiHF3 |
trifluorosilane |
| |
618 |
CHFCl2 |
fluorodichloromethane |
1A' | Cs |
619 |
CHCl3 |
Chloroform |
1A1 | C3v |
620 |
CHBrF2 |
Methane, bromodifluoro- |
1A' | Cs |
621 |
SiHCl3 |
Trichlorosilane |
1A1 | C3v |
622 |
CHBrCl2 |
Methane, bromodichloro- |
1A' | Cs |
623 |
CHBr2F |
dibromofluoromethane |
| |
624 |
CHFClI |
fluorochloroiodomethane |
| |
625 |
NF3H+ |
protonated nitrogen trifluoride |
1A1 | C3v |
626 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1A1 | C2v |
627 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1A1 | C2v |
628 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1Ag | C2h |
629 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1A1 | C2v |
630 |
CH3COF |
Acetyl fluoride |
1A' | NULL |
631 |
C2H4F2 |
1,2-difluoroethane |
1Ag | C2H anti |
632 |
C2H4F2 |
1,2-difluoroethane |
1A | C2 gauche |
633 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1A' | Cs |
634 |
CH3CHFCl |
Ethane, 1-chloro-1-fluoro- |
1A | C1 |
635 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1Ag | C2h |
636 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
1A' | Cs |
637 |
CH2BrCH2Cl |
1-bromo-2-chloroethane |
| |
638 |
CH2BrCH2Cl |
1-bromo-2-chloroethane |
| |
639 |
CH2BrCH2Br |
Ethane, 1,2-dibromo- |
1Ag | C2h |
640 |
CH2BrCH2Br |
Ethane, 1,2-dibromo- |
1A | C2 |
641 |
CH2CHCH2F |
Allyl Fluoride |
| |
642 |
CH2CHCH2F |
Allyl Fluoride |
| |
643 |
CH3CHCHF |
trans-1-Fluoro-1-propene |
| |
644 |
C3H5Cl |
1-Propene, 3-chloro- |
1A | C1 |
645 |
C3H5Cl |
1-chloro-1-propene(E) |
1A' | Cs |
646 |
C3H5Cl |
1-chloro-1-propene(Z) |
1A' | Cs |
647 |
CH2FCH2OH |
2-fluoroethanol |
| |
648 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1A | C1 |
649 |
CH2FCH2CH3 |
1-Fluoropropane |
| |
650 |
B5H9 |
pentaborane9 |
| |
651 |
C5H5 |
cyclopentadienyl radical |
2B1 | C2v |
652 |
C5H6 |
1,3-Cyclopentadiene |
1A1 | C2v |
653 |
C5H6 |
1-Buten-3-yne, 2-methyl- |
1A' | Cs |
654 |
C5H6 |
3-Penten-1-yne, (E)- |
1A' | Cs |
655 |
C5H6 |
3-Penten-1-yne, (Z)- |
1A' | Cs |
656 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
1A' | Cs |
657 |
C5H6 |
Cyclopropylacetylene |
1A' | C1 |
658 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1A1 | C2v |
659 |
C5H8 |
1,2-Pentadiene |
1A' | C1 |
660 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1A' | Cs |
661 |
C5H8 |
1,3-Pentadiene, (E)- |
1A' | C1 |
662 |
C5H8 |
1,3-Pentadiene, (Z)- |
1A' | Cs |
663 |
C5H8 |
1,4-Pentadiene |
1A | C2 |
664 |
C5H8 |
2,3-Pentadiene |
1A | C1 |
665 |
C5H8 |
Bicyclo[1.1.1]pentane |
| |
666 |
C5H8 |
Cyclobutane, methylene- |
1A' | Cs |
667 |
C5H8 |
Cyclopentene |
1A' | Cs |
668 |
C5H10 |
1-Butene, 2-methyl- |
1A | C1 |
669 |
C5H10 |
2-Butene, 2-methyl- |
1A' | Cs |
670 |
C5H10 |
2-Pentene, (E)- |
1A' | Cs |
671 |
C5H10 |
2-Pentene, (Z)- |
1A | C1 |
672 |
C5H10 |
Cyclopentane |
1A | C1 |
673 |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
1A1 | C1 |
674 |
CH2CHCH2CH2CH3 |
1-pentene |
1A | C1 |
675 |
C5H11 |
2-Methylbut-2-yl radical |
1A | C1 |
676 |
C5H12 |
Butane, 2-methyl- |
1A | C1 |
677 |
C5H12 |
Pentane |
1A1 | C2v |
678 |
C5H12 |
Propane, 2,2-dimethyl- |
1A1 | Td |
679 |
N2O3 |
Dinitrogen trioxide |
1A' | Cs |
680 |
C3H2N2 |
Malononitrile |
1A1 | Cs |
681 |
C4H4N |
pyrrolide radical |
2A2 | C2v |
682 |
C3H4N2 |
1H-Imidazole |
1A' | Cs |
683 |
C3H4N2 |
1H-Pyrazole |
1A' | Cs |
684 |
C3H4N2 |
4H-Imidazole |
1A' | Cs |
685 |
C4H5N |
(E)-2-Butenenitrile |
1A' | Cs |
686 |
C4H5N |
(Z)-2-Butenenitrile |
1A' | Cs |
687 |
C4H5N |
Cyclopropanecarbonitrile |
1A' | Cs |
688 |
C4H5N |
Pyrrole |
1A1 | C2v |
689 |
C4H6N+ |
pyrrole, alpha-protonated |
1A' | Cs |
690 |
C4H6N+ |
pyrrole, beta-protonated |
1A' | Cs |
691 |
C4H6N+ |
pyrrole, protonated |
1A1 | C2v |
692 |
C3H6N2 |
3-Aminopropionitrile |
1A' | Cs |
693 |
C5H8 |
Bicyclo[2.1.0]pentane |
1A' | Cs |
694 |
C5H8 |
Spiropentane |
1A1 | D2d |
695 |
C4H9N |
Cyclobutylamine |
1A' | Cs |
696 |
C4H9N |
Pyrrolidine |
1A' | Cs |
697 |
C3H10N2 |
1,2-Diaminopropane |
1A | C1 |
698 |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
1A | C1 |
699 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
1A | C1 |
700 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1A | C1 |
701 |
NC4H12+ |
tetramethyl ammonium cation |
1A1 | Td |
702 |
C3O2 |
Carbon suboxide |
1ΣG | D∞h |
703 |
B2O3 |
diboron trioxide |
| |
704 |
B2O3 |
diboron trioxide |
| |
705 |
HSO4- |
bisulfate anion |
1A' | Cs |
706 |
CHOOCHO |
diformyl ether |
| |
707 |
H2SO4 |
Sulfuric acid |
1A | C1 |
708 |
C3H3NO |
Isoxazole |
1A' | Cs |
709 |
C3H3NS |
Thiazole |
| |
710 |
CH3NO3 |
Methyl nitrate |
1A' | Cs |
711 |
C4H4O |
Furan |
1A1 | C2 |
712 |
C4H4S |
Thiophene |
1A1 | C2v |
713 |
C3H4O2 |
β–Propiolactone |
1A' | Cs |
714 |
C3H4O2 |
2-Propenoic acid |
1A' | Cs |
715 |
C3H4O2 |
Methyl glyoxal |
1A' | Cs |
716 |
C3H4O2 |
propanedial |
1A | C1 |
717 |
C3H4O2 |
propenalol |
1A' | Cs |
718 |
CH2CHCONH2 |
Acrylamide |
1A | Cs |
719 |
CH3OCH2CN |
Methoxyacetonitrile |
1A' | Cs |
720 |
CH5N3S |
Hydrazinecarbothioamide |
1A | C1 |
721 |
H2NCH2COOH |
Glycine |
1A' | Cs |
722 |
C4H6O |
Cyclobutanone |
1A1 | C2v |
723 |
C4H6O |
Furan, 2,3-dihydro- |
1A | C1 |
724 |
CH2CHOCHCH2 |
Vinyl ether |
1A1 | C2v |
725 |
CHOCHCHCH3 |
2-Butenal |
1A' | Cs |
726 |
C4H6S |
Thiophene, 2,3-dihydro- |
1A | C1 |
727 |
C4H6S |
Thiophene, 2,5-dihydro- |
1A1 | C2v |
728 |
CH2CHSCHCH2 |
Divinyl sulfide |
1A | C2v |
729 |
C2H6N2O |
Urea, methyl- |
1A | C1 |
730 |
C3H6O2 |
1,3-Dioxolane |
1A | C2 |
731 |
CH3CH2COOH |
Propanoic Acid |
1A' | Cs |
732 |
CH3COOCH3 |
methyl acetate |
1A' | Cs |
733 |
C2H6O2S |
Dimethyl sulfone |
1A1 | C2v |
734 |
C3H7NO |
Propanamide |
1A' | C1 |
735 |
C2H3OC2H5 |
Ethene, ethoxy- |
1A | C1 |
736 |
C4H8O |
Cyclobutanol |
1A' | C1 |
737 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
1A | C1 |
738 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1A' | Cs |
739 |
CHOCH2CH2CH3 |
Butanal |
1A' | Cs |
740 |
C4H8S |
Thiophene, tetrahydro- |
1A | C1 |
741 |
C3H8O2 |
Hydroperoxide, 1-methylethyl |
1A | C1 |
742 |
C3H8O2 |
Methane, dimethoxy- |
1A1 | C2v |
743 |
C3H8O2 |
Propylene glycol |
1A | C1 |
744 |
C3H8S2 |
1,3-Propanedithiol |
1A1 | C1 |
745 |
C4H10O |
2-Butanol, (.+/-.)- |
1A | C1 |
746 |
C4H10O |
Ethanol, 1,1-dimethyl- |
1A' | Cs |
747 |
C4H10O |
Ethoxy ethane |
1A1 | C2v |
748 |
C4H10O |
Methyl propyl ether |
1A | C1 |
749 |
C4H10O |
Propane, 2-methoxy- |
1A' | Cs |
750 |
C(CH3)3SH |
2-Propanethiol, 2-methyl- |
1A' | Cs |
751 |
C2H5SC2H5 |
Diethyl sulfide |
1A1 | C2v |
752 |
C4H9SH |
1-Butanethiol |
| |
753 |
CH2(SH)CH(CH3)CH3 |
1-Propanethiol, 2-methyl- |
1A | C1 |
754 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1A | C1 |
755 |
CH3CH(SH)CH2CH3 |
2-Butanethiol |
1A | C1 |
756 |
FNO3 |
Fluorine nitrate |
1A' | Cs |
757 |
ClFO3 |
Perchloryl fluoride |
1A1 | Cs |
758 |
SO2Cl2 |
Sulfuryl chloride |
1A1 | C2v |
759 |
F3NO |
Nitrogen trifluoride oxide |
1A1 | C3v |
760 |
F3PO |
Phosphoryl fluoride |
1A1 | C3v |
761 |
Cl3PO |
Phosphoryl chloride |
1A1 | C3v |
762 |
CF4 |
Carbon tetrafluoride |
1A1 | Td |
763 |
CF3Cl |
Methane, chlorotrifluoro- |
1A1 | C3v |
764 |
SiF4 |
Silicon tetrafluoride |
1A1 | Td |
765 |
CF2Cl2 |
difluorodichloromethane |
1A1 | C2v |
766 |
CFCl3 |
Trichloromonofluoromethane |
1A1 | C3v |
767 |
CF3Br |
Bromotrifluoromethane |
1A1 | C3v |
768 |
GeF4 |
Germanium tetrafluoride |
1A1 | Td |
769 |
CCl4 |
Carbon tetrachloride |
1A1 | Td |
770 |
SiCl4 |
Silane, tetrachloro- |
1A1 | Td |
771 |
CBr2ClF |
dibromochlorofluoromethane |
| |
772 |
CCl3I |
trichloroiodomethane |
| |
773 |
CBr4 |
Carbon tetrabromide |
1A1 | Td |
774 |
CCl2I2 |
dichlorodiiodomethane |
| |
775 |
GeBr4 |
Germanium tetrabromide |
| |
776 |
CI4 |
tetraiodomethane |
| |
777 |
SF4 |
Sulfur tetrafluoride |
1A1 | C2v |
778 |
SCl4 |
Sulfur tetrachloride |
| |
779 |
C2HF3 |
Trifluoroethylene |
1A' | Cs |
780 |
CHClCCl2 |
Trichloroethylene |
1A' | Cs |
781 |
HSO3F |
Fluorosulfonic acid |
1A | C1 |
782 |
CHCl2CHO |
dichloroacetaldehyde |
| |
783 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1A1 | C3v |
784 |
CHF2CH2F |
Ethane, 1,1,2-trifluoro |
1A | C1 |
785 |
CHF2CH2F |
Ethane, 1,1,2-trifluoro |
1A' | Cs |
786 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1A1 | C3v |
787 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
| |
788 |
C3H5ClO |
Oxirane, (chloromethyl)- |
1A | C1 |
789 |
CH2FCH2CH2F |
1,3-difluoropropane |
| |
790 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1A | C1 |
791 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
1A1 | C2v |
792 |
CH2CClCH2CH3 |
1-Butene, 2-chloro- |
1A' | Cs |
793 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
1A | C1 |
794 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1A | C1 |
795 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1A' | Cs |
796 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (E)- |
1A' | Cs |
797 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (Z)- |
1A' | Cs |
798 |
CHClCHCH2CH3 |
(E)-1-Chloro-1-butene |
1A | C1 |
799 |
CHClCHCH2CH3 |
(Z)-1-Chloro-1-butene |
1A' | Cs |
800 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
1A' | Cs |
801 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
1A1 | C3v |
802 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
1A | C1 |
803 |
C2H2N2O |
Furazan |
| |
804 |
C6H4 |
(E)-Hexa-1,5-diyne-3-ene |
1Ag | Cs |
805 |
C6H4 |
(Z)-Hexa-1,5-diyne-3-ene |
1A1 | C2v |
806 |
C6H5 |
phenyl |
2A1 | C2v |
807 |
C6H6 |
2,4-Hexadiyne |
1A1' | D3h |
808 |
C6H6 |
Benzene |
1A1g | D6h |
809 |
C6H6 |
Dewar Benzene |
| |
810 |
C6H7+ |
benzene, protonated |
1A1 | C2v |
811 |
C6H8 |
(E)-hexa-1,3,5-triene |
1Ag | Cs |
812 |
C6H8 |
(Z)-hexa-1,3,5-triene |
1A1 | C2v |
813 |
C6H8 |
1,4-Cyclohexadiene |
1Ag | C2v |
814 |
C6H8 |
3-Methylenecyclopentene |
1A | C1 |
815 |
C6H8 |
Bicyclo[2.1.1]hex-2-ene |
1A1 | C2v |
816 |
C6H8 |
Bicyclo[2.2.0]hex-1(4)-ene |
1Ag | D2h |
817 |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
1A | C1 |
818 |
C6H10 |
1,3-Hexadiene, (E)- |
1A' | Cs |
819 |
C6H10 |
1,3-Hexadiene, (Z)- |
1A' | Cs |
820 |
C6H10 |
1,4-Hexadiene, (E)- |
1A | C1 |
821 |
C6H10 |
1,4-Hexadiene, (Z)- |
1A | C1 |
822 |
C6H10 |
1-Butyne, 3,3-dimethyl- |
1A1 | C3v |
823 |
C6H10 |
1-Hexyne |
1A' | Cs |
824 |
C6H10 |
2,4-Hexadiene, (E,E)- |
1Ag | C2h |
825 |
C6H10 |
2,4-Hexadiene, (E,Z)- |
1A' | Cs |
826 |
C6H10 |
2,4-Hexadiene, (Z,Z)- |
1A' | Cs |
827 |
C6H10 |
2-Hexyne |
1A' | C1 |
828 |
C6H10 |
3-Hexyne |
1A1 | C2v |
829 |
C6H10 |
cyclohexene |
1A | C2 |
830 |
C6H10 |
Cyclopentene, 1-methyl- |
1A | C1 |
831 |
C6H10 |
Cyclopentene, 3-methyl- |
1A | C1 |
832 |
C6H10 |
Cyclopentene, 4-methyl- |
1A | C1 |
833 |
C6H12 |
(E)-2-Hexene |
1A' | Cs |
834 |
C6H12 |
(E)-3-methylpent-2-ene |
1A | C1 |
835 |
C6H12 |
(E)-hex-3-ene |
1AG | Ci |
836 |
C6H12 |
(Z)-3-methylpent-2-ene |
1A | C1 |
837 |
C6H12 |
2,3-dimethylbut-1-ene |
1A' | C2 |
838 |
C6H12 |
3-methylenepentane |
1A | C1 |
839 |
C6H12 |
Cyclohexane |
1A1g | Chair |
840 |
C6H12 |
Cyclopentane, methyl- |
1A | C1 |
841 |
C6H12 |
Ethylcyclobutane |
1A | C1 |
842 |
C6H12 |
hex-1-ene |
1A' | Cs |
843 |
C6H14 |
Butane, 2,2-dimethyl- |
1A' | C1 |
844 |
C6H14 |
Butane, 2,3-dimethyl- |
1Ag | C2h |
845 |
C6H14 |
Hexane |
1Ag | C2h |
846 |
C6H14 |
Pentane, 2-methyl- |
1A | C1 |
847 |
C6H14 |
Pentane, 3-methyl- |
1A' | Cs |
848 |
C4N2 |
2-Butynedinitrile |
1Σg | D∞h |
849 |
C3H3N3 |
1,3,5-Triazine |
1A1' | D3h |
850 |
CH3N5 |
5-Aminotetrazole |
1A | C1 |
851 |
C4H4N2 |
1,3-Diazine |
1A1 | C2v |
852 |
C4H4N2 |
Pyrazine |
1Ag | D2h |
853 |
C4H4N2 |
Pyridazine |
1A1 | C2v |
854 |
C4H4N2 |
Succinonitrile |
1Ag | C2h |
855 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
1A' | Cs |
856 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1A' | C1 |
857 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
1A | C1 |
858 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1A' | Cs |
859 |
C5H5N |
Pyridine |
1A1 | C2v |
860 |
C6H6 |
Fulvene |
1A1 | C2v |
861 |
C5H6N+ |
Pyridinium |
1A1 | C2v |
862 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1A' | Cs |
863 |
C5H7N |
(E)-2-Pentenenitrile |
1A' | Cs |
864 |
C5H7N |
(E)-3-Pentenenitrile |
1A | C1 |
865 |
C5H7N |
(Z)-2-Pentenenitrile |
1A | C1 |
866 |
C5H7N |
1H-Pyrrole, 1-methyl- |
1A | C1 |
867 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1A | C1 |
868 |
C5H9N |
Butanenitrile, 2-methyl- |
1A | C1 |
869 |
C5H9N |
Pentanenitrile |
1A' | Cs |
870 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
1A1 | C1 |
871 |
C5H11N |
Cyclopentanamine |
1A' | Cs |
872 |
C4H12N2 |
1,2-Butanediamine |
1A | C1 |
873 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1A' | C1 |
874 |
C2O4-- |
oxalate anion |
1A1 | D2d |
875 |
N2O4 |
Dinitrogen tetroxide |
1Ag | D2d |
876 |
C3H2O3 |
vinylene carbonate |
| |
877 |
C2H3NO3 |
Oxamic acid |
1A' | H out |
878 |
C4H4O2 |
2-Oxetanone, 4-methylene- |
1A | C1 |
879 |
C2H4N2O2 |
Oxalamide |
1Ag | C2h |
880 |
C2H4N2S2 |
Ethanedithioamide |
1AG | C2h |
881 |
C3H4O2S |
2H-Thiete-1,1-dioxide |
1A' | C1 |
882 |
C3H4S3 |
1,3-Dithiolane-2-thione |
1A | C1 |
883 |
C4H5NO |
3-Methylisoxazole |
1A | C1 |
884 |
C4H5NO |
Isoxazole, 5-methyl- |
1A | C1 |
885 |
C4H5NS |
4-Methylthiazole |
1A | C1 |
886 |
C5H6S |
Thiophene, 2-methyl- |
1A' | Cs |
887 |
C5H6S |
Thiophene, 3-methyl- |
1A' | Cs |
888 |
C4H6O2 |
γ–Butyrolactone |
1A | C1 |
889 |
C4H6O2 |
2,3-Butanedione |
1Ag | C2h |
890 |
C4H6O2 |
2,3-Butanedione |
1Ag | Ci |
891 |
C4H6O2 |
2-Propenoic acid, methyl ester |
1A | C1 |
892 |
C4H6OS |
Dihydro-2-(3H)-thiophenone |
1A | C1 |
893 |
C4H6OS |
Dihydro-3-(2H)-thiophenone |
1A | C1 |
894 |
CH6N4S |
Carbonothioic dihydrazide |
1A | C2 |
895 |
C2H6N2O2 |
(E)-Azodioxymethane |
1Ag | C2h |
896 |
C2H6N2O2 |
Dimethylnitroamine |
1A | C1 |
897 |
C3H6O3 |
1,3,5-Trioxane |
1A1 | C1 |
898 |
C3H6S3 |
Carbonotrithioic acid, dimethyl ester |
1A1 | C1 |
899 |
C2H6O3S |
Sulfurous acid, dimethyl ester |
1A' | C1 |
900 |
C4H7NO |
2-Pyrrolidinone |
1A | C1 |
901 |
C4H7NO |
Methacrylamide |
1A | C1 |
902 |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
1A' | C1 |
903 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
1A | C1 |
904 |
NH2COOC2H5 |
Urethane |
1A | C1 |
905 |
C5H8O |
2H-Pyran, 3,4-dihydro- |
1A | C1 |
906 |
C5H8O |
Furan, 2,3-dihydro-5-methyl- |
1A | C1 |
907 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1A | C1 |
908 |
NH2CONHC2H5 |
Urea, ethyl- |
1A | C1 |
909 |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
1A | C1 |
910 |
C4H8O2 |
1,4-Dioxane |
1Ag | C2h |
911 |
C4H8O2 |
Ethene, 1,1-dimethoxy- |
1A1 | C2v |
912 |
C4H8O2 |
Ethyl acetate |
1A' | Cs |
913 |
C4H8OS |
s-Ethyl thioacetate |
1A | C1 |
914 |
C3H8O3 |
1,2,3-Propanetriol |
1A | C1 |
915 |
C3H8O2S |
(Methylsulfonyl)ethane |
1A | C1 |
916 |
C4H9NO |
Butanamide |
1A | C1 |
917 |
C4H9NO |
Propanamide, 2-methyl- |
1A | C1 |
918 |
C5H10O |
2-Butanone, 3-methyl- |
1A | C1 |
919 |
C5H10O |
2H-Pyran, tetrahydro- |
1A' | C1 |
920 |
C5H10O |
2-Pentanone |
1A' | Cs |
921 |
C5H10O |
3-Pentanone |
1A1 | C2v |
922 |
C5H10O |
Cyclopentanol |
1A | C1 |
923 |
C5H10O |
Oxetane, 3,3-dimethyl- |
1A' | Cs |
924 |
C5H10S |
2H-Thiopyran, tetrahydro- |
1A' | Cs |
925 |
C5H10S |
3-Ethylthio-1-propene |
1A' | C1 |
926 |
C5H10S |
Cyclopentanethiol |
1A | C1 |
927 |
C5H10S |
Thiophene, tetrahydro-2-methyl- |
1A | C1 |
928 |
C5H10S |
Thiophene, tetrahydro-3-methyl- |
1A | C1 |
929 |
C4H10O2 |
1,1-Dimethoxyethane |
1A' | Cs |
930 |
C4H10O2 |
1,3-Butanediol |
1A | C1 |
931 |
C4H10O2 |
1,4-Butanediol |
1Ag | C2h |
932 |
C4H10O2 |
Ethane, 1,2-dimethoxy- |
1Ag | C2h |
933 |
C4H10OS |
Diethyl sulfoxide |
1A | C1 |
934 |
C4H10S2 |
1,4-Butanedithiol |
1Ag | C2h |
935 |
C4H11NO |
Diethylhydroxylamine |
1A' | Cs |
936 |
C5H12O |
1-Butanol, 2-methyl- |
1A | C1 |
937 |
C5H12O |
1-Butanol, 3-methyl- |
1A' | Cs |
938 |
C5H12O |
1-Pentanol |
1A' | Cs |
939 |
C5H12O |
2-Butanol, 3-methyl- |
1A | C1 |
940 |
C5H12O |
2-Pentanol |
1A | C1 |
941 |
C5H12O |
Butane, 1-methoxy- |
1A' | Cs |
942 |
C5H12O |
Propane, 1-ethoxy- |
1A' | Cs |
943 |
C5H12O |
Propane, 2-methoxy-2-methyl- |
1A' | C1 |
944 |
C5H12S |
1-Butanethiol, 2-methyl- |
1A | C1 |
945 |
C5H12S |
1-Butanethiol, 3-methyl- |
1A' | C1 |
946 |
C5H12S |
1-Pentanethiol |
1A' | C1 |
947 |
C5H12S |
1-Propanethiol, 2,2-dimethyl- |
1A' | C1 |
948 |
C5H12S |
2-Butanethiol, 3-methyl- |
1A | C1 |
949 |
C5H12S |
Butane, 1-(methylthio)- |
1A' | Cs |
950 |
C5H12S |
Ethyl propyl sulfide |
1A' | Cs |
951 |
C5H12S |
Propane, 2-(ethylthio)- |
1A' | C1 |
952 |
C5H12S |
Propane, 2-methyl-2-(methylthio)- |
1A' | C1 |
953 |
C4F2 |
difluorobutadiyne |
| |
954 |
ClCOClCO |
Oxalyl chloride |
1AG | C2h |
955 |
CF3CN |
Acetonitrile, trifluoro- |
1A1 | C3v |
956 |
B2F4 |
Diboron tetrafluoride |
1AG | D2h |
957 |
B2Cl4 |
Diboron tetrachloride |
1A1 | D2 |
958 |
C2F4 |
Tetrafluoroethylene |
1Ag | D2h |
959 |
C2ClF3 |
Ethene, chlorotrifluoro- |
| |
960 |
C2Cl4 |
Tetrachloroethylene |
1Ag | D2h |
961 |
C2Br4 |
tetrabromoethene |
| |
962 |
SiF5- |
silicon pentafluoride anion |
| |
963 |
PF5 |
Phosphorus pentafluoride |
1A1' | D3h |
964 |
PCl5 |
Phosphorus pentachloride |
1A1' | C4v |
965 |
SF5 |
Sulfur pentafluoride |
2A1 | C4v |
966 |
IF5 |
pentafluoroiodine |
| |
967 |
CH2ClCCl3 |
1,1,1,2-tetrachloroethane |
| |
968 |
CHCl2CHCl2 |
Ethane, 1,1,2,2-tetrachloro- |
| |
969 |
C4H3ClO |
Furan,3-chloro |
1A' | Cs |
970 |
C3H5ClO2 |
Carbonochloridic acid, ethyl ester |
1A | C1 |
971 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
1A' | Cs |
972 |
C4H8Cl2 |
1,4-Dichlorobutane |
1Ag | C2h |
973 |
C4H8Cl2 |
Butane, 1,2-dichloro- |
1A | C1 |
974 |
C4H8Cl2 |
Butane, 1,3-dichloro- |
1A | C1 |
975 |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,s*)- |
1Ag | Ci |
976 |
C4H9ClO |
1-Chloro-2-ethoxyethane |
1A' | Cs |
977 |
C5H11Cl |
Pentane, 1-chloro- |
1A' | Cs |
978 |
C6H5CH2 |
benzyl radical |
2B1 | Cs |
979 |
C7H7 |
cycloheptatrienyl radical |
2A2 | C2v |
980 |
C6H5CH3 |
toluene |
1A' | Cs |
981 |
C7H12 |
Norbornane |
1A1 | C2v |
982 |
C7H16 |
3-methylhexane |
| |
983 |
C7H16 |
heptane |
1A1 | C2v |
984 |
CH(CN)3 |
tricyanomethane |
| |
985 |
HN=C=C(CN)2 |
Dicyanoketenimine |
| |
986 |
C6H5NH2 |
aniline |
1A' | Cs |
987 |
C6H5OH |
phenol |
1A' | Cs |
988 |
C5H8O2 |
Acetylacetone |
1A | C2 |
989 |
C6H10O |
cyclohexanone |
1A' | Cs |
990 |
C6H12O |
Oxepane |
| |
991 |
CF3COO- |
trifluoro acetate anion |
1A' | Cs |
992 |
CF3COF |
trifluoroacetyl fluoride |
1A' | Cs |
993 |
SF6 |
Sulfur Hexafluoride |
1A1G | Oh |
994 |
C6H5F |
Fluorobenzene |
1A1 | C2v |
995 |
C6H5Cl |
chlorobenzene |
1A1 | C2v |
996 |
C6H5CCH |
phenylacetylene |
1A1 | C2v |
997 |
C8H6 |
benzocyclobutadiene |
1A1 | C2v |
998 |
C6H5CHCH2 |
Styrene |
1A' | Cs |
999 |
C8H8 |
cubane |
1A1G | Oh |
1000 |
C8H8 |
cyclooctatetraene |
1A1 | D2d |
1001 |
C6H5CH2CH3 |
Ethylbenzene |
1A' | Cs |
1002 |
C8H16 |
cyclooctane |
1A1 | D4d |
1003 |
(CH3)3CC(CH3)3 |
tetramethylbutane |
1A1 | D3d |
1004 |
C6H12N2 |
Triethylenediamine |
1A1 | D3 |
1005 |
S4N4 |
Tetrasulfur tetranitride |
| |
1006 |
C6H5CHO |
benzaldehyde |
1A' | Cs |
1007 |
C6H5OCH3 |
Anisole |
1A' | Cs |
1008 |
C6H12O2 |
Hexanoic acid |
1A1 | Cs |
1009 |
C4F4 |
tetrafluorcyclobutadiene |
1AG | C2h |
1010 |
C2F6 |
hexafluoroethane |
1A1g | D3d |
1011 |
C2Cl6 |
hexachloroethane |
1A1g | D3d |
1012 |
C6H5NO |
nitrosobenzene |
1A' | Cs |
1013 |
C9H12 |
n-propyl benzene |
1A' | Cs |
1014 |
C6H5NO2 |
Nitrobenzene |
1A1 | C2v |
1015 |
C6H5COOH |
benzoic acid |
1A' | Cs |
1016 |
C3F6 |
hexafluoropropene |
| |
1017 |
C8H18O |
1-Octanol |
| |
1018 |
C10H8 |
Azulene |
1A1 | C2v |
1019 |
C10H8 |
naphthalene |
1Ag | D2h |
1020 |
C10H10 |
bullvalene |
| |
1021 |
C10H16 |
adamantane |
1A1 | Td |
1022 |
SF5CF3 |
Sulfur, pentafluoro(trifluoromethyl)- |
1A' | Cs |
1023 |
C3F8 |
perfluoropropane |
1A1 | C2v |
1024 |
S2F10 |
disulphur decafluoride |
| |
1025 |
C13H10 |
Fluorene |
| |
1026 |
C14H14 |
Bibenzyl |
1A | C2 |
1027 |
C12H10N2 |
azobenzene |
1AG | C2h |
1028 |
C6H5COC6H5 |
benzophenone |
1A | C2 |
1029 |
C19H16 |
Triphenylmethane |
1A | C3 |
1030 |
C24H12 |
Coronene |
1A1G | D6h |
count |
Species |
Name |
file name |
problem |
1 |
D |
Deuterium atom |
d |
|
2 |
D- |
Deuterium atom anion |
d- |
|
3 |
D+ |
Deuterium atom cation |
d+ |
|
4 |
H3+ |
hydrogen trimer cation |
h3+ |
|
5 |
He |
Helium atom |
he |
|
6 |
He- |
Helium atom anion |
he- |
|
7 |
He+ |
Helium atom cation |
he+ |
|
8 |
HeH |
Helium hydride |
heh |
|
9 |
HeH+ |
Helium hydride cation |
heh+ |
|
10 |
He2+ |
helium diatomic cation |
he2+ |
|
11 |
Li+ |
Lithium atom cation |
li+ |
|
12 |
Na |
Sodium atom |
na |
|
13 |
Na- |
Sodium atom anion |
na- |
|
14 |
Na+ |
Sodium atom cation |
na+ |
|
15 |
K |
Potassium atom |
k |
|
16 |
K- |
Potassium atom anion |
k- |
|
17 |
K+ |
Potassium atom cation |
k+ |
|
18 |
Cu |
Copper atom |
cu |
|
19 |
Cu- |
Copper atom anion |
cu- |
|
20 |
Cu+ |
Copper atom cation |
cu+ |
|
21 |
NaH |
sodium hydride |
nah |
|
22 |
NaH- |
sodium hydride anion |
nah- |
|
23 |
NaH+ |
sodium hydride cation |
nah+ |
|
24 |
KH |
Potassium hydride |
kh |
|
25 |
KH+ |
Potassium hydrogen cation |
kh+ |
|
26 |
CuH |
Copper monohydride |
cuh |
|
27 |
Be- |
Beryllium atom anion |
be- |
|
28 |
Be+ |
Beryllium atom cation |
be+ |
|
29 |
Mg- |
Magnesium atom anion |
mg- |
|
30 |
Mg+ |
Magnesium atom cation |
mg+ |
|
31 |
Ca |
Calcium atom |
ca |
|
32 |
Ca- |
Calcium atom anion |
ca- |
|
33 |
Ca+ |
Calcium atom cation |
ca+ |
|
34 |
Zn |
Zinc atom |
zn |
|
35 |
Zn- |
Zinc atom anion |
zn- |
|
36 |
Zn+ |
Zinc atom cation |
zn+ |
|
37 |
CaH |
Calcium monohydride |
cah |
|
38 |
CaH+ |
Calcium monohydride cation |
cah+ |
|
39 |
TiH |
Titanium monohydride |
tih |
|
40 |
CaH2 |
Calcium Hydride |
cah2 |
|
41 |
B- |
Boron atom anion |
b- |
|
42 |
B+ |
Boron atom cation |
b+ |
|
43 |
Sc |
Scandium atom |
sc |
|
44 |
Sc+ |
Scandium cation |
sc+ |
|
45 |
Ga |
Gallium atom |
ga |
|
46 |
Ga- |
Gallium atom anion |
ga- |
|
47 |
Ga+ |
Gallium atom cation |
ga+ |
|
48 |
ScH |
Scandium monohydride |
sch |
|
49 |
ScH+ |
Scandium monohydride cation |
sch+ |
|
50 |
GaH |
Gallium monohydride |
gah |
|
51 |
GaH+ |
Gallium monohydride cation |
gah+ |
|
52 |
AlH3+ |
aluminum trihydride cation |
alh3+ |
|
53 |
ScH3 |
Scandium trihydride |
sch3 |
|
54 |
GaH3 |
Gallium trihydride |
gah3 |
|
55 |
AlH4- |
Aluminum tetrahydride anion |
alh4- |
|
56 |
C- |
Carbon atom anion |
c- |
|
57 |
C+ |
Carbon atom cation |
c+ |
|
58 |
Si+ |
Silicon atom cation |
si+ |
|
59 |
Ti |
Titanium atom |
ti |
|
60 |
Ti- |
Titanium atom anion |
ti- |
|
61 |
Ti+ |
Titanium atom cation |
ti+ |
|
62 |
SiH4+ |
Silane cation |
sih4+ |
|
63 |
SnH4 |
Stannane |
snh4 |
|
64 |
N- |
Nitrogen atom anion |
n- |
|
65 |
N+ |
Nitrogen atom cation |
n+ |
|
66 |
P- |
Phosphorus atom anion |
p- |
|
67 |
P+ |
Phosphorus atom cation |
p+ |
|
68 |
V |
Vanadium atom |
v |
|
69 |
V+ |
Vanadium atom cation |
v+ |
|
70 |
As |
Arsenic atomic |
as |
|
71 |
As- |
Arsenic anion |
as- |
|
72 |
As+ |
Arsenic cation |
as+ |
|
73 |
Sb |
Antimony atom |
sb |
|
74 |
AsH+ |
Arsenic monohydride cation |
ash+ |
|
75 |
SbH |
Antimony monohydride |
sbh |
|
76 |
AsH2 |
Arsenic dihydride |
ash2 |
|
77 |
AsH2+ |
Arsenic dihydride cation |
ash2+ |
|
78 |
AsH3 |
Arsine |
ash3 |
|
79 |
AsH3+ |
Arsine cation |
ash3+ |
|
80 |
SbH3 |
Stibine |
sbh3 |
|
81 |
O- |
Oxygen atom anion |
o- |
|
82 |
O+ |
Oxygen atom cation |
o+ |
|
83 |
Cr |
Chromium atom |
cr |
|
84 |
Se |
Selenium atom |
se |
|
85 |
Se- |
Selenium atom anion |
se- |
|
86 |
Se+ |
Selenium atom cation |
se+ |
|
87 |
Te |
Tellurium atom |
te |
|
88 |
Te+ |
Tellurium atom cation |
te+ |
|
89 |
HSe |
Selenium monohydride |
hse |
|
90 |
TeH |
Telluryl radical |
teh |
|
91 |
H2Se |
Hydrogen selenide |
h2se |
|
92 |
H2Te |
Hydrogen Telluride |
h2te |
|
93 |
H3Se+ |
Hydrogen Selenide, protonated |
h3se+ |
|
94 |
Mn |
Manganese atom |
mn |
|
95 |
I |
Iodine atom |
iodine |
|
96 |
I- |
Iodine atom anion |
iodine- |
|
97 |
I+ |
Iodine atom cation |
iodine+ |
|
98 |
HI |
Hydrogen iodide |
hi |
|
99 |
HI+ |
Hydrogen iodide cation |
hi+ |
|
100 |
H2F+ |
dihydrogen fluoride cation |
h2f+ |
|
101 |
H2I+ |
Iodonium |
h2i+ |
|
102 |
Ne |
Neon atom |
ne |
|
103 |
Ne- |
Neon atom anion |
ne- |
|
104 |
Ne+ |
Neon atom cation |
ne+ |
|
105 |
Ar |
Argon atom |
ar |
|
106 |
Ar- |
Argon atom anion |
ar- |
|
107 |
Ar+ |
Argon atom cation |
ar+ |
|
108 |
Fe |
Iron atom |
fe |
|
109 |
Kr+ |
Krypton cation |
kr+ |
|
110 |
HeLi+ |
Helium Lithium cation |
heli+ |
|
111 |
NeH |
neon hydrogen |
neh |
|
112 |
NeH+ |
neon hydrogen cation |
neh+ |
|
113 |
ArH+ |
Argon hydride cation |
arh+ |
|
114 |
XeH+ |
Xenon, protonated |
xeh+ |
|
115 |
Co |
Cobalt atom |
cobalt |
|
116 |
Ni |
Nickel atom |
ni |
|
117 |
NaLi |
lithium sodium |
lina |
|
118 |
NaLi- |
lithium sodium anion |
lina- |
|
119 |
NaLi+ |
lithium sodium cation |
lina+ |
|
120 |
LiK |
Lithium Potassium |
lik |
|
121 |
Na2+ |
sodium diatomic cation |
na2+ |
|
122 |
NaK |
Sodium Potassium |
nak |
|
123 |
NaK+ |
Sodium Potassium diatomic cation |
nak+ |
|
124 |
K2 |
Potassium diatomic |
k2 |
|
125 |
Cu2 |
Copper diatomic |
cu2 |
|
126 |
LiBe |
Lithium Beryllium |
libe |
|
127 |
LiMg |
Lithium magnesium |
limg |
|
128 |
NaBe |
Sodium Beryllium |
nabe |
|
129 |
NaMg |
Sodium Magnesium |
namg |
|
130 |
Ca2 |
Calcium diatomic |
ca2 |
|
131 |
NaAl |
Sodium aluminum |
naal |
|
132 |
BGa |
Boron Gallium |
bga |
|
133 |
AlGa |
Aluminum Gallium |
alga |
|
134 |
Ga2 |
Gallium diatomic |
ga2 |
|
135 |
Ga2H6 |
digallane |
ga2h6 |
|
136 |
CaC |
Calcium monocarbide |
cac |
|
137 |
Ge2 |
Germanium diatomic |
ge2 |
|
138 |
CuCH3 |
monomethyl copper |
cuch3 |
|
139 |
C2H6+ |
ethane cation |
c2h6+ |
|
140 |
GeH3CH3 |
methyl germane |
geh3ch3 |
|
141 |
C2H7+ |
Ethane, protonated |
c2h7+ |
|
142 |
LiN+ |
Lithium Nitride cation |
lin+ |
|
143 |
GaN |
Gallium mononitride |
gan |
|
144 |
GaP |
Gallium monophosphide |
gap |
|
145 |
SiN+ |
silicon mononitride cation |
sin+ |
|
146 |
TiN |
Titanium mononitride |
tin |
|
147 |
AsN |
Arsenic mononitride |
asn |
|
148 |
AsP |
Arsenic monophosphide |
asp |
|
149 |
SbN |
Antimony nitride |
sbn |
|
150 |
As2 |
Arsenic diatomic |
as2 |
|
151 |
HNC |
hydrogen isocyanide |
hnc |
|
152 |
CNH2+ |
N-protonated hydrogen isocyanide |
cnh2+ |
|
153 |
HCNH+ |
N-protonated HCN |
hcnh+ |
|
154 |
NaO |
sodium monoxide |
nao |
|
155 |
NaO+ |
sodium oxide cation |
nao+ |
|
156 |
KO |
Potassium monoxide |
ko |
|
157 |
KO+ |
Potassium monoxide cation |
ko+ |
|
158 |
NaS |
Sodium sulfide |
nas |
|
159 |
CuO |
Copper Monoxide |
cuo |
|
160 |
LiSe |
Lithium monoselenide |
lise |
|
161 |
MgO- |
magnesium oxide anion |
mgo- |
|
162 |
MgS |
magnesium sulfide |
mgs |
|
163 |
MgS- |
magnesium sulfide anion |
mgs- |
|
164 |
CaS |
Calcium sulfide |
cas |
|
165 |
ZnO |
zinc monoxide |
zno |
|
166 |
ZnS |
Zinc sulfide |
zns |
|
167 |
ScO |
Scandium monoxide |
sco |
|
168 |
GaO |
Gallium monoxide |
gao |
|
169 |
GaS |
Gallium monosulfide |
gas |
|
170 |
TiO |
Titanium monoxide |
tio |
|
171 |
CSe |
Carbon monoselenide |
cse |
|
172 |
CSe- |
Carbon monoselenide anion |
cse- |
|
173 |
CSe+ |
Carbon monoselenide cation |
cse+ |
|
174 |
SiSe+ |
Silicon Monoselenide cation |
sise+ |
|
175 |
GeSe |
Germanium monoselenide |
gese |
|
176 |
VO |
Vanadium monoxide |
vo |
|
177 |
AsO |
Arsenic monoxide |
aso |
|
178 |
NSe |
Nitrogen monoselenide |
nse |
|
179 |
PSe |
Phosphorus monoselenide |
pse |
|
180 |
AsSe |
Arsenic monoselenide |
asse |
|
181 |
SeO |
Selenium monoxide |
seo |
|
182 |
SeS |
Selenium monosulfide |
ses |
|
183 |
SeS+ |
selenium monosulfide cation |
ses+ |
|
184 |
TeO |
Tellurium monoxide |
teo |
|
185 |
Se2 |
Selenium diatomic |
se2 |
|
186 |
Se2- |
selenium diatomic anion |
se2- |
|
187 |
Se2+ |
selenium diatomic cation |
se2+ |
|
188 |
Te2 |
Tellurium diatomic |
te2 |
|
189 |
NaOH |
sodium hydroxide |
naoh |
|
190 |
KOH |
Potassium hydroxide |
koh |
|
191 |
CaOH |
Calcium monohydroxide |
caoh |
|
192 |
HNS |
Sulfur imide |
hns |
|
193 |
HNS- |
Sulfur imide anion |
hns- |
|
194 |
H2CSe |
Selenoformaldehyde |
h2cse |
|
195 |
H2Se2 |
hydrogen diselenide |
h2se2 |
|
196 |
H3O2+ |
hydrogen peroxide, protonated |
h3o2+ |
|
197 |
CH3SeH |
Methane selenol |
ch3seh |
|
198 |
CH3OH2+ |
Methanol, protonated |
ch3oh2+ |
|
199 |
H2ONH3 |
Water Ammonia Dimer |
h2onh3 |
|
200 |
NaF |
sodium fluoride |
naf |
|
201 |
NaF- |
sodium fluoride anion |
naf- |
|
202 |
NaF+ |
sodium fluoride cation |
naf+ |
|
203 |
KF |
Potassium Fluoride |
kf |
|
204 |
NaCl |
Sodium Chloride |
nacl |
|
205 |
NaCl- |
sodium chloride anion |
nacl- |
|
206 |
NaCl+ |
sodium chloride cation |
nacl+ |
|
207 |
KCl |
Potassium Chloride |
kcl |
|
208 |
CuF |
Copper monofluoride |
cuf |
|
209 |
CuCl |
Copper monochloride |
cucl |
|
210 |
NaBr- |
sodium bromide anion |
nabr- |
|
211 |
NaBr+ |
sodium bromide cation |
nabr+ |
|
212 |
KBr |
Potassium Bromide |
kbr |
|
213 |
NaI |
Sodium Iodide |
nai |
|
214 |
KI |
Potassium Iodide |
ki |
|
215 |
CaF |
Calcium monofluoride |
caf |
|
216 |
CaCl |
calcium monochloride |
cacl |
|
217 |
TiCl |
Titanium Monochloride |
ticl |
|
218 |
ZnF- |
Zinc monofluoride anion |
znf- |
|
219 |
ZnF+ |
Zinc monofluoride cation |
znf+ |
|
220 |
CaBr |
Calcium monobromide |
cabr |
|
221 |
ScF |
Scandium monofluoride |
scf |
|
222 |
GaF |
Gallium monofluoride |
gaf |
|
223 |
GaF+ |
Gallium monofluoride cation |
gaf+ |
|
224 |
GaCl |
Gallium monochloride |
gacl |
|
225 |
GaCl+ |
Gallium monochloride cation |
gacl+ |
|
226 |
AlI |
Aluminum monoiodide |
ali |
|
227 |
CF- |
carbon monofluoride anion |
cf- |
|
228 |
SiCl- |
silicon monochloride anion |
sicl- |
|
229 |
AsF |
Arsenic monofluoride |
asf |
|
230 |
AsCl |
Arsenic monochloride |
ascl |
|
231 |
SbF |
Antimony monofluoride |
sbf |
|
232 |
SbCl |
Antimony monochloride |
sbcl |
|
233 |
SeF |
Selenium monofluoride |
sef |
|
234 |
SeCl |
Selenium monochloride |
secl |
|
235 |
SeBr |
Selenium monobromide |
sebr |
|
236 |
ClF- |
clorine monofluoride anion |
clf- |
|
237 |
IF |
Iodine monofluoride |
if |
|
238 |
ICl |
Iodine monochloride |
icl |
|
239 |
IBr |
Iodine monobromide |
ibr |
|
240 |
CHBr |
bromomethylene |
chbr |
|
241 |
HOI |
Hypoiodous acid |
hoi |
|
242 |
FHF |
Hydrogen difluoride |
fhf |
|
243 |
FHF- |
Hydrogen difluoride anion |
fhf- |
|
244 |
CH3Cl+ |
Methyl chloride cation |
ch3cl+ |
|
245 |
CH3I |
methyl iodide |
ch3i |
|
246 |
SiH3I |
Silyl Iodide |
sih3i |
|
247 |
LiNe+ |
Lithium Neon cation |
line+ |
|
248 |
Ne2 |
Neon diatomic |
ne2 |
|
249 |
Ne2+ |
Neon diatomic cation |
ne2+ |
|
250 |
Ar2+ |
Argon diatomic cation |
ar2+ |
|
251 |
C3H5+ |
Allyl cation |
allyl+ |
|
252 |
NaCN |
Sodium Cyanide |
nacn |
|
253 |
CuCN |
Copper cyanide |
cucn |
|
254 |
N3- |
azide anion |
n3- |
|
255 |
HCNN |
diazomethyl radical |
hcnn |
|
256 |
CH2N2 |
diazirine |
ch2n2 |
|
257 |
CH3CN+ |
Acetonitrile cation |
ch3cn+ |
|
258 |
NHCHNH2 |
aminomethanimine |
cn2h4 |
|
259 |
NH2BHNH2 |
diaminoborane |
nh2bhnh2 |
|
260 |
NH2CH2NH3+ |
diaminoethane, protonated |
pdam |
|
261 |
Li2O+ |
dilithium oxide cation |
li2o+ |
|
262 |
SCN- |
thiocyanide anion |
scn- |
|
263 |
BO2- |
Boron dioxide anion |
bo2- |
|
264 |
CO2- |
Carbon dioxide anion |
co2- |
|
265 |
TiO2 |
Titanium dioxide |
tio2 |
|
266 |
SCSe |
Carbon sulfide selenide |
scse |
|
267 |
CSe2 |
Carbon diselenide |
cse2 |
|
268 |
SCTe |
Carbon sulfide Telluride |
scte |
|
269 |
AsO2 |
Aresenic dioxide |
aso2 |
|
270 |
S3- |
Sulfur trimer anion |
s3- |
|
271 |
SeO2 |
Selenium dioxide |
seo2 |
|
272 |
SeO2+ |
Selenium dioxide cation |
seo2+ |
|
273 |
TeO2 |
Tellurium Dioxide |
teo2 |
|
274 |
CS2H+ |
Carbon disulfide, protonated |
cs2h+ |
|
275 |
HNNO |
nitrosoazane |
hnno |
|
276 |
Mg(OH)2 |
Magnesium dihydroxide |
h2mgo2 |
|
277 |
NaOCH3 |
Sodium methoxide |
naoch3 |
|
278 |
CH2CHO |
Vinyloxy radical |
ch2cho |
|
279 |
CH3CO- |
Acetyl anion |
ch3co- |
|
280 |
CH2OOH |
CH2OOH radical |
ch2ooh |
|
281 |
NH3CHO+ |
Formamide, N-Protonated |
nh3cho+ |
|
282 |
H2OH2CO |
water formaldehyde dimer |
h2oh2co |
|
283 |
CH2CH2OH |
2-hydroxy ethyl radical |
ch2ch2oh |
|
284 |
CH3CH2O |
Ethoxy radical |
ethoxy |
|
285 |
CH3OCH2 |
methoxymethyl radical |
ch3och2 |
|
286 |
CH3SeCH3 |
dimethylselenide |
dmse |
|
287 |
CH3OHH2O |
methanol water dimer |
ch3ohh2o |
|
288 |
H2OCH3OH |
water methanol dimer |
h2och3oh |
|
289 |
CuF2 |
Copper difluoride |
cuf2 |
|
290 |
MgCl2 |
Magnesium dichloride |
mgcl2 |
|
291 |
CaCl2 |
Calcium Chloride |
cacl2 |
|
292 |
CaBr2 |
Calcium dibromide |
cabr2 |
|
293 |
CaF2 |
Calcium difluoride |
caf2 |
|
294 |
BrNO |
Nitrosyl bromide |
brno |
|
295 |
INO |
Nitrosyl iodide |
ino |
|
296 |
CCl2- |
dichloromethylene anion |
ccl2- |
|
297 |
OBrO |
Bromine dioxide radical |
obro |
|
298 |
SeF2 |
Selenium difluoride |
sef2 |
|
299 |
BrOCl |
Bromine hypochlorite |
brocl |
|
300 |
SeCl2 |
Selenium Dichloride |
secl2 |
|
301 |
BrOBr |
Bromine oxide |
brobr |
|
302 |
I3- |
triiodide |
i3- |
|
303 |
COHCl |
Formyl chloride |
cohcl |
|
304 |
COHBr |
Formyl bromide |
cohbr |
|
305 |
HOClO |
Chlorous acid |
hoclo |
|
306 |
CH2FCl |
fluorochloromethane |
ch2fcl |
|
307 |
CH2BrI |
bromoiodomethane |
ch2bri |
|
308 |
CH2CHF+ |
fluoroethene cation |
ch2chf+ |
|
309 |
CH3OCl |
methyl hypochlorite |
ch3ocl |
|
310 |
CH3SiFH2 |
fluoromethylsilane |
ch3sifh2 |
|
311 |
KrF2 |
Krypton difluoride |
krf2 |
|
312 |
XeF2 |
Xenon difluoride |
xef2 |
|
313 |
B(CH3)3 |
trimethylborane |
bme3 |
|
314 |
SiH(CH3)3 |
trimethylsilane |
trimsi |
|
315 |
CH5N3 |
Guanidine |
guanidine |
|
316 |
CH6N3+ |
guanidinium |
ch6n3+ |
|
317 |
C3H7N |
Azetidine |
azet |
|
318 |
As(CH3)3 |
trimethyl arsine |
tmas |
|
319 |
Li2O2 |
dilithium dioxide |
li2o2 |
|
320 |
Na2O2 |
disodium dioxide |
na2o2 |
|
321 |
K2O2 |
dipotassium dioxide |
k2o2 |
|
322 |
CO3-- |
carbonate |
co3-- |
|
323 |
SeO3 |
selenium trioxide |
seo3 |
|
324 |
TeO3 |
Tellurium trioxide |
teo3 |
|
325 |
HSO3 |
Hydroxysulfonyl radical |
hso3 |
|
326 |
C2H2CO |
cyclopropenone |
c2h2co |
|
327 |
HCCCHO |
2-propynal |
hcccho |
|
328 |
C2H2O2+ |
Ethanedial cation |
c2h2o2+ |
|
329 |
H2CO3 |
Carbonic acid |
h2co3 |
|
330 |
H2CS3 |
thiocarbonic acid |
h2cs3 |
|
331 |
H2NO3+ |
Nitric Acid, Protonated |
h2no3+ |
|
332 |
C2H3NO |
Nitrosoethylene |
c2h3no |
|
333 |
CH3COO- |
acetate anion |
ch3coo- |
|
334 |
H3CO3+ |
carbonic acid, protonated |
h3co3+ |
|
335 |
C3H4O |
2-Propyn-1-ol |
c107197 |
|
336 |
C3H4O |
Methylketene |
c6004440 |
|
337 |
NH2CONH2+ |
Urea cation |
urea+ |
|
338 |
C2H4O2 |
1,3-dioxetane |
c2h4o2 |
|
339 |
CH3COOH |
Acetic acid |
ch3cooh |
|
340 |
H2OHCOOH |
Water formic acid dimer 1 |
h2ohcooh_10 |
|
341 |
H2OHCOOH |
Water formic acid dimer 2 |
h2ohcooh_11 |
|
342 |
HCOOHH2O |
Formic acid water dimer |
hcoohh2o |
|
343 |
HOCH2OOH |
hydroxy methyl peroxide |
hoch2ooh |
|
344 |
C2H5OO |
ethylperoxy radical |
c2h5oo |
|
345 |
CH3COHCH3+ |
acetone, protonated |
acetoneh+ |
|
346 |
H2OCH3OCH3 |
water dimethylether dimer |
h2och3och3 |
|
347 |
Na2F2 |
Sodium Fluoride Dimer |
na2f2 |
|
348 |
Na2Cl2 |
Disodium dichloride |
na2cl2 |
|
349 |
C2Cl2 |
dichloroacetylene |
c2cl2 |
|
350 |
BrONO |
Bromine nitrite |
brono |
|
351 |
COFCl |
Carbonic chloride fluoride |
cofcl |
|
352 |
COBr2 |
Carbonic dibromide |
cobr2 |
|
353 |
ScF3 |
Scandium trifluoride |
ScF3 |
|
354 |
GaF3 |
Gallium trifluoride |
gaf3 |
|
355 |
GaCl3 |
Gallium trichloride |
gacl3 |
|
356 |
AlBr3 |
Aluminum Bromide |
albr3 |
|
357 |
ClO3 |
Chlorine trioxide |
clo3 |
|
358 |
ClO3- |
chlorate anion |
clo3- |
|
359 |
BrO3- |
Bromate anion |
bro3- |
|
360 |
FOOF |
Perfluoroperoxide |
foof |
|
361 |
SeOCl2 |
selenium oxychloride |
seocl2 |
|
362 |
AsF3 |
Arsenic trifluoride |
asf3 |
|
363 |
SbF3 |
Antimony Trifluoride |
sbf3 |
|
364 |
AsCl3 |
Arsenous trichloride |
ascl3 |
|
365 |
SbCl3 |
Antimony Trichloride |
sbcl3 |
|
366 |
AsBr3 |
Arsenic tribromide |
asbr3 |
|
367 |
BrF3 |
Bromine trifluoride |
brf3 |
|
368 |
IF3 |
iodone trifluoride |
if3 |
|
369 |
CHF2I |
difluoroiodomethane |
chf2i |
|
370 |
CHCl2I |
dichloroiodomethane |
chcl2i |
|
371 |
CHClBr2 |
Methane, dibromochloro- |
chclbr2 |
|
372 |
CHBr3 |
bromoform |
chbr3 |
|
373 |
CHI3 |
Iodoform |
chi3 |
|
374 |
C2H2Br2 |
1,1-dibromoethene |
c2h2br2 |
|
375 |
CH2FCHO |
Fluoroacetaldehyde |
ch2fcho |
|
376 |
CH2ClCHO |
chloroacetaldehyde |
ch2clcho |
|
377 |
CH2CFCH3 |
2-fluoropropene |
2fpro |
|
378 |
CH3CH2CH2Br |
n-propyl bromide |
prbr |
|
379 |
CH3CHBrCH3 |
i-propyl bromide |
iprbr |
|
380 |
C3H9O+ |
trimethyl oxonium cation |
c3h9o+ |
|
381 |
C5H7 |
1,3-pentadienyl radical |
pdyl |
|
382 |
C5H7 |
cyclopentenyl radical |
cpyl |
|
383 |
CH3CCCH2CH3 |
2-Pentyne |
2pentyne |
|
384 |
Si(CH3)4 |
tetramethylsilane |
tms |
|
385 |
C2H3N3 |
1H-1,2,4-Triazole |
c288880 |
|
386 |
C4H5N |
2H-pyrrole |
pyrrole2 |
|
387 |
C4H5N |
3H-pyrrole |
pyrrole3 |
|
388 |
CH2CHCH2CN |
Allylcyanide |
ch2chch2cn |
|
389 |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
butam1 |
|
390 |
CaCO3 |
Calcium Carbonate |
caco3 |
|
391 |
PO4--- |
phosphate |
po4--- |
|
392 |
SO4-- |
sulfate |
so4-- |
|
393 |
C2H2N2S |
1,3,4-Thiadiazole |
c2h2n2s |
|
394 |
C3H2O2 |
Propiolic acid |
c3h2o2 |
|
395 |
CHOCOOH |
oxo acetic acid |
oaa |
|
396 |
H2SeO4 |
Selenic acid |
h2seo4 |
|
397 |
CH3C(O)OO |
acetyl peroxy radical |
ch3coo2 |
|
398 |
H3PO4 |
Phosphoric Acid |
h3po4 |
|
399 |
C4H4O+ |
Furan cation |
furan+ |
|
400 |
C2H4O3 |
trioxolane124 |
triox |
|
401 |
C4H6O |
cis-2-butenal |
butenal2c |
|
402 |
C4H6O |
Furan, 2,5-dihydro- |
furan25h |
|
403 |
C4H8O |
Furan, tetrahydro- |
thf |
|
404 |
C4H10O+ |
1-Butanol cation |
butanol1+ |
|
405 |
ClONO2 |
Chlorine nitrate |
clono2 |
|
406 |
TiCl4 |
Titanium tetrachloride |
ticl4 |
|
407 |
ClO4- |
perchlorate anion |
clo4- |
|
408 |
BF4- |
tetrafluoroboron anion |
bf4- |
|
409 |
SO2F2 |
Sulfuryl fluoride |
so2f2 |
|
410 |
TiF4 |
Titanium tetrafluoride |
tif4 |
|
411 |
CCl4+ |
Carbon tetrachloride cation |
ccl4+ |
|
412 |
CBrClF2 |
Methane, bromochlorodifluoro- |
cbrclf2 |
|
413 |
CF3I |
trifluoroiodomethane |
cf3i |
|
414 |
CBrCl3 |
Methane, bromotrichloro- |
cbrcl3 |
|
415 |
CBr2F2 |
Methane, dibromodifluoro- |
cbr2f2 |
|
416 |
GeCl4 |
Germanium Tetrachloride |
gecl4 |
|
417 |
CFClBrI |
fluorochlorobromoiodomethane |
cfclbri |
|
418 |
CF2I2 |
difluorodiiodomethane |
cf2i2 |
|
419 |
CBr3I |
tribromoiododmethane |
cbr3i |
|
420 |
SiI4 |
silicon tetraiodide |
sii4 |
|
421 |
CHBrCF2 |
1-Bromo-2,2-difluoroethylene |
chbrcf2 |
|
422 |
HClO4 |
perchloric acid |
hclo4 |
|
423 |
CHClCCHCl |
1,3-dichloroallene |
chclcchcl |
|
424 |
CH3CF2Cl |
1-Chloro-1,1-Difluoroethane |
ch3cf2cl |
|
425 |
CH3CFCl2 |
1,1-Dichloro-1-fluoroethane |
ch3cfcl2 |
|
426 |
NH3BCl3 |
Amminetrichloroboron |
nh3bcl3 |
|
427 |
CH3CF2CH3 |
2,2-difluoropropane |
ch3cf2ch3 |
|
428 |
CH2ClCH2CH2Cl |
1,3-dichloropropane |
prdicl13 |
|
429 |
CHCl2CH2CH3 |
1,1-dichloropropane |
prdicl11 |
|
430 |
SiCl2(CH3)2 |
dichlorodimethylsilane |
sicl2me2 |
|
431 |
C4H9F |
1-fluorobutane |
butaf1 |
|
432 |
CH3CHFCH2CH3 |
2-fluorobutane |
butaf2 |
|
433 |
XeF4 |
Xenon tetrafluoride |
xef4 |
|
434 |
C6H6 |
3,4-Dimethylenecyclobutene |
cb34m |
|
435 |
C6H6+ |
Benzene cation |
c6h6+ |
|
436 |
C6H8 |
1,3-Cyclohexadiene |
cyhexadiene13 |
|
437 |
C4H6(CH3)2 |
1,1-dimethylcyclobutane |
dmcb11 |
|
438 |
C6H12 |
(1R,2R)-1,2-dimethylcyclobutane |
dmcb12t |
|
439 |
C6H12 |
(1r,3r)-1,3-dimethylcyclobutane |
dmcb13t |
|
440 |
C6H12 |
2,3-dimethyl-but-2-ene |
tmeet |
|
441 |
C6H12 |
cis-1,2-dimethylcyclobutane |
dmcb12c |
|
442 |
C6H12 |
cis-1,3-dimethylcyclobutane |
dmcb13c |
|
443 |
C5H5N |
E-2,4-pentadienenitrile |
bdcn |
|
444 |
C6H10 |
Bicyclo[3.1.0]hexane |
c285585 |
|
445 |
Li2CO3 |
Lithium Carbonate |
li2co3 |
|
446 |
Na2CO3 |
Sodium Carbonate |
na2co3 |
|
447 |
C4H4O2 |
2(5H)-Furanone |
furanone |
|
448 |
C2H4O4 |
Formic acid dimer |
fadimer |
|
449 |
C4H6O2 |
Crotonic Acid |
crot |
|
450 |
C4H6OS |
2,3-dihydrothiophene-2-ol |
c9000117 |
|
451 |
C4H6OS |
2,5-dihydrothiophene-3-ol |
c9000093 |
|
452 |
C4H6OS |
4,5-dihydrothiophene-2-ol |
c9000106 |
|
453 |
C4H6OS |
4,5-dihydrothiophene-3-ol |
c9000082 |
|
454 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
d13 |
|
455 |
C3H7ONO |
Propyl nitrite |
prono |
|
456 |
C5H12S |
2-Butanethiol, 2-methyl- |
c1679090 |
|
457 |
CF3CN+ |
Acetonitrile, trifluoro- cation |
cf3cn+ |
|
458 |
C2F4+ |
Tetrafluoroethylene cation |
c2f4+ |
|
459 |
C2FCl3 |
fluorotrichloroethene |
c2fcl3 |
|
460 |
AsF5 |
Arsenic pentafluoride |
asf5 |
|
461 |
SbCl5 |
Antimony pentachloride |
sbcl5 |
|
462 |
CF3CHO |
trifluoroacetaldehyde |
cf3cho |
|
463 |
CCl3CHO |
trichloroacetaldehyde |
ccl3cho |
|
464 |
CF3CH2F |
1,1,1,2-tetrafluoroethane |
cf3ch2f |
|
465 |
CF3CH2Cl |
2,2,2-Trifluoroethyl chloride |
cf3ch2cl |
|
466 |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- |
c2211678 |
|
467 |
C7H8 |
cycloheptatriene |
cht |
|
468 |
C7H8 |
Quadricyclane |
qucy |
|
469 |
C6H7N |
2-Methylpyridine |
mp |
|
470 |
N2O5 |
Dinitrogen pentoxide |
n2o5 |
|
471 |
C4H2O3 |
Maleic Anhydride |
malan |
|
472 |
C5H5NO |
2(1H)-Pyridinone |
c72762006 |
|
473 |
C5H5NO |
2(3H)-Pyridinone |
c9000048 |
|
474 |
C5H5NO |
2(5H)-Pyridinone |
c9000037 |
|
475 |
C5H5NO |
2-Pyridinol |
c109104 |
|
476 |
C5H5NO |
3(2H)-Pyridinone |
c9000004 |
|
477 |
C5H5NO |
3(4H)-Pyridinone |
c9000026 |
|
478 |
C5H5NO |
3(6H)-Pyridinone |
c9000015 |
|
479 |
C5H5NO |
3-Pyridinol |
c109002 |
|
480 |
C5H5NO |
4(1H)-Pryidinone |
c9000060 |
|
481 |
C5H5NO |
4(3H)-Pryidinone |
c9000059 |
|
482 |
C5H5NO |
4-Pyridinol |
c626642 |
|
483 |
C6H6O |
2,4-Cyclohexadienone |
c24599573 |
|
484 |
C6H5SH |
Benzenethiol |
phsh |
|
485 |
C4H8O2S |
Sulfolane |
sulfolane |
|
486 |
CH(C2H3)3 |
trivinyl methane |
tvm |
|
487 |
C6H12O |
hexanal |
c6h12o |
|
488 |
CF3COCl |
trifluoroacetyl chloride |
cf3cocl |
|
489 |
SeF6 |
Selenium hexafluoride |
sef6 |
|
490 |
CF3CHFCl |
1,1,1,2-tetrafluorochloroethane |
cf3chfcl |
|
491 |
CF3CHCl2 |
1,1-Dichloro-2,2,2-trifluoroethane |
cf3chcl2 |
|
492 |
CHCl2CClF2 |
Ethane, 1,2,2-trichloro-1,1-difluoro- |
chcl2cclf2 |
|
493 |
CCl3CHCl2 |
pentachloroethane |
ccl3chcl2 |
|
494 |
CH3C6H4CH3 |
meta-xylene |
mxylene |
|
495 |
CH3C6H4CH3 |
paraxylene |
pxylene |
|
496 |
C4O4-- |
squarate dianion |
c4o4-- |
|
497 |
C6H4O2 |
parabenzoquinone |
pbq |
|
498 |
C4H4N2O2 |
Uracil |
uracil |
|
499 |
CF3CF2Cl |
pentafluorochloroethane |
cf3cf2cl |
|
500 |
CF2ClCF2Cl |
1,2-Dichloro-1,1,2,2-tetrafluoroethane |
cf2clcf2cl |
|
501 |
CF3CFCl2 |
1,1-Dichlorotetrafluoroethane |
cf3cfcl2 |
|
502 |
CF2ClCFCl2 |
Ethane, 1,1,2-trichloro-1,2,2-trifluoro- |
cf2clcfcl2 |
|
503 |
CF3CCl3 |
1,1,1-trifluoro-2,2,2-trichloroethane |
cf3ccl3 |
|
504 |
IF7 |
Iodine heptafluoride |
if7 |
|
505 |
C6H4F2 |
metadifluorobenzene |
mdfb |
|
506 |
C5H4N4 |
purine |
purine |
|
507 |
C3Cl3N3 |
1,3,5-Triazine, 2,4,6-trichloro- |
c3cl3n3 |
|
508 |
C4F6 |
perfluorobutadiene |
c4f6 |
|
509 |
Fe(CO)5 |
Iron pentacarbonyl |
ipc |
|
510 |
Fe(C5H5)2 |
ferrocene |
fecp2 |
|
511 |
B12H12-- |
Dodecahydrododecaborate(2-) |
b12h12-- |
|
512 |
B12H12-- |
Dodecahydrododecaborate(2-) |
b12h12-- |
|
513 |
C12H8 |
Acenaphthylene |
acenaph |
|
514 |
C14H10 |
Phenanthrene |
phenanthrene |
|
515 |
C16H10 |
Pyrene |
pyrene |
|
516 |
C18H12 |
Tetracene |
tetracene |
|