Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN |
Cyano radical |
1.130 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.147 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.194 |
1 |
3 |
HNC+ |
hydrogen isocyanide cation |
1.111 |
1 |
2 |
CH2NH |
Methanimine |
1.267 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.222 |
1 |
2 |
CHNH2 |
aminomethylene |
1.309 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.269 |
1 |
2 |
CH3NH2 |
methyl amine |
1.461 |
1 |
2 |
CH3NH3 |
methyl ammonium radical |
1.497 |
1 |
2 |
LiCN |
lithium cyanide |
1.161 |
2 |
3 |
KCN |
Potassium cyanide |
1.172 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.148 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.171 |
2 |
3 |
NCO |
isocyanato radical |
1.228 |
1 |
2 |
CNF |
iso cyanogen fluoride |
1.165 |
1 |
2 |
BrCN |
Cyanogen bromide |
1.150 |
1 |
2 |
HSCN |
thiocyanic acid |
1.152 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.186 |
1 |
2 |
HNCNH |
diiminomethane |
1.217 |
1 |
2 |
|
|
1.217 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.221 |
2 |
3 |
CH3CN |
Acetonitrile |
1.148 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.252 |
1 |
2 |
|
|
1.557 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.199 |
1 |
2 |
|
|
1.456 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.510 |
1 |
2 |
|
|
1.510 |
1 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.145 |
1 |
2 |
|
|
1.402 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.141 |
1 |
2 |
|
|
1.282 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.402 |
1 |
2 |
|
|
1.145 |
1 |
3 |
H2CCNH |
Ethenimine |
1.221 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.355 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.141 |
1 |
2 |
|
|
1.282 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.271 |
1 |
2 |
|
|
1.211 |
2 |
3 |
CH2NOH |
formaldoxime |
1.268 |
1 |
2 |
CH3NO |
nitrosomethane |
1.476 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.432 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.256 |
1 |
3 |
CHSNH2 |
thioformamide |
1.335 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.264 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.289 |
1 |
3 |
NH2CH2OH |
aminomethanol |
1.439 |
1 |
2 |
C2H5NH+ |
Protonated Aziridine |
1.012 |
1 |
2 |
|
|
1.012 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.488 |
1 |
2 |
|
|
1.488 |
1 |
3 |
(CH3)2NH2+ |
dimethylammonium cation |
1.493 |
1 |
2 |
|
|
1.493 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.511 |
1 |
2 |
C2N2 |
Cyanogen |
1.149 |
1 |
3 |
|
|
1.149 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.240 |
1 |
3 |
|
|
1.240 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.152 |
3 |
4 |
|
|
1.271 |
1 |
2 |
|
|
1.348 |
2 |
3 |
CH3N3 |
methyl azide |
1.470 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.478 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.148 |
2 |
7 |
CH3NCO |
methylisocyante |
1.426 |
1 |
2 |
|
|
1.184 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.149 |
3 |
4 |
|
|
1.453 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.354 |
1 |
3 |
|
|
1.354 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.483 |
1 |
2 |
NH2CONH2 |
Urea |
1.365 |
1 |
3 |
|
|
1.365 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.514 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.300 |
1 |
3 |
CH3CHNOH |
Acetaldoxime |
1.270 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.348 |
1 |
3 |
|
|
1.445 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.545 |
1 |
3 |
|
|
1.327 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.262 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.316 |
1 |
3 |
|
|
1.310 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.338 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.414 |
1 |
3 |
|
|
1.414 |
2 |
4 |
CH7N3 |
triaminomethane |
1.453 |
1 |
3 |
|
|
1.453 |
1 |
4 |
|
|
1.453 |
1 |
5 |
NH2CH2CH2CH3 |
1-Propanamine |
1.459 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.510 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.018 |
1 |
2 |
|
|
1.489 |
1 |
3 |
|
|
1.489 |
1 |
4 |
C2H2N2O |
Furazan |
1.299 |
2 |
4 |
|
|
1.299 |
3 |
5 |
C3H4N2 |
1H-Imidazole |
1.304 |
2 |
4 |
|
|
1.377 |
4 |
5 |
|
|
1.357 |
1 |
2 |
|
|
1.373 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.274 |
2 |
3 |
|
|
1.454 |
3 |
4 |
|
|
1.429 |
1 |
2 |
|
|
1.279 |
1 |
5 |
C3H4N2 |
2H-Imidazole |
1.356 |
1 |
2 |
|
|
1.356 |
1 |
3 |
|
|
1.249 |
2 |
4 |
|
|
1.249 |
3 |
5 |
C4H5N |
Pyrrole |
1.365 |
1 |
3 |
|
|
1.365 |
1 |
4 |
CH3OCH2CN |
Methoxyacetonitrile |
1.148 |
4 |
5 |
C4H6N+ |
pyrrole, protonated |
1.473 |
1 |
2 |
|
|
1.473 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.286 |
1 |
2 |
|
|
1.427 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.454 |
1 |
2 |
|
|
1.291 |
1 |
3 |
NH(C2H5)2 |
diethylamine |
1.453 |
1 |
2 |
|
|
1.453 |
1 |
3 |
C2H4N2S2 |
Ethanedithioamide |
1.320 |
1 |
5 |
|
|
1.320 |
2 |
6 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.375 |
1 |
3 |
|
|
1.375 |
1 |
4 |
|
|
1.448 |
3 |
5 |
|
|
1.448 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.146 |
3 |
6 |
|
|
1.146 |
4 |
7 |
|
|
1.146 |
5 |
8 |
C6H5NO |
nitrosobenzene |
1.440 |
1 |
7 |