Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.174 |
1 |
2 |
CN |
Cyano radical |
1.166 |
1 |
2 |
CN+ |
Cyano cation |
1.175 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.149 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.210 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.168 |
1 |
2 |
HNC+ |
hydrogen isocyanide cation |
1.132 |
1 |
2 |
H2CN |
Dihydrogen cyanide radical |
1.239 |
1 |
2 |
H2CN+ |
hydrocyanonium cation |
1.198 |
1 |
2 |
CNH2 |
Aminomethylidyne radical |
1.291 |
1 |
2 |
CNH2+ |
N-protonated hydrogen isocyanide |
1.242 |
1 |
2 |
HCNH |
methyleneazane |
1.230 |
1 |
2 |
HCNH+ |
N-protonated HCN |
1.132 |
1 |
2 |
CH2NH |
Methanimine |
1.264 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.223 |
1 |
2 |
CHNH2 |
aminomethylene |
1.307 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.269 |
1 |
2 |
CH3NH2 |
methyl amine |
1.454 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.402 |
1 |
2 |
CH3NH3 |
methyl ammonium radical |
1.498 |
1 |
2 |
CH3NH3+ |
protonated methylamine |
1.499 |
1 |
2 |
NCN |
Cyanoimidogen |
1.226 |
1 |
2 |
|
|
1.226 |
1 |
3 |
LiCN |
lithium cyanide |
1.177 |
2 |
3 |
CNN |
Diazocarbene |
1.233 |
1 |
2 |
CN2 |
3H-Diazirin-3-ylidene |
1.383 |
1 |
2 |
|
|
1.383 |
1 |
3 |
NaCN |
Sodium Cyanide |
1.176 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.161 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.181 |
2 |
3 |
KCN |
Potassium cyanide |
1.175 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.158 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.176 |
2 |
3 |
NCO- |
cyanate |
1.186 |
1 |
2 |
NCO |
isocyanato radical |
1.223 |
1 |
2 |
CNO- |
fulminate |
1.184 |
1 |
2 |
SCN |
thiocyanato radical |
1.180 |
1 |
3 |
FCN |
Cyanogen fluoride |
1.152 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.173 |
1 |
2 |
ClCN |
chlorocyanogen |
1.157 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.157 |
1 |
2 |
HCCN |
cyanomethylene |
1.200 |
2 |
3 |
HNCO |
Isocyanic acid |
1.212 |
2 |
3 |
HCNO |
fulminic acid |
1.155 |
2 |
3 |
HSCN |
thiocyanic acid |
1.157 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.197 |
1 |
2 |
HNCNH |
diiminomethane |
1.220 |
1 |
2 |
|
|
1.220 |
1 |
3 |
CH2N2 |
diazirine |
1.467 |
1 |
2 |
|
|
1.467 |
1 |
3 |
CH2NN |
diazomethane |
1.286 |
1 |
2 |
NH2CN |
cyanamide |
1.159 |
1 |
2 |
|
|
1.339 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.223 |
2 |
3 |
CH3CN |
Acetonitrile |
1.152 |
2 |
3 |
CH3CN+ |
Acetonitrile cation |
1.209 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.251 |
1 |
2 |
|
|
1.549 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.206 |
1 |
2 |
|
|
1.453 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.504 |
1 |
2 |
|
|
1.504 |
1 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.148 |
1 |
2 |
|
|
1.400 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.150 |
1 |
2 |
|
|
1.278 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.401 |
1 |
2 |
|
|
1.148 |
1 |
3 |
H2CCNH |
Ethenimine |
1.220 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.347 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.146 |
1 |
2 |
|
|
1.280 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.269 |
1 |
2 |
|
|
1.215 |
2 |
3 |
CHONH2 |
formamide |
1.353 |
1 |
3 |
CH2NOH |
formaldoxime |
1.265 |
1 |
2 |
CH3NO |
nitrosomethane |
1.475 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.427 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.259 |
1 |
3 |
CHSNH2 |
thioformamide |
1.334 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.262 |
1 |
2 |
NHCHNH2 |
aminomethanimine |
1.367 |
1 |
2 |
|
|
1.270 |
1 |
3 |
CH3CHN |
methylmethaniminyl radical |
1.243 |
1 |
3 |
CH2CHNH |
vinylazine |
1.310 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.292 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.292 |
1 |
3 |
C2H5N |
Aziridine |
1.460 |
1 |
3 |
|
|
1.460 |
1 |
4 |
CH2CHNH2 |
aminoethene |
1.385 |
2 |
3 |
CH2NCH3 |
N-methylmethanimine |
1.442 |
1 |
2 |
|
|
1.259 |
2 |
3 |
CH3CHNH |
ethanimine |
1.267 |
2 |
3 |
NH2CH2OH |
aminomethanol |
1.434 |
1 |
2 |
NH2CH2NH2 |
diaminomethane |
1.452 |
1 |
2 |
|
|
1.452 |
1 |
3 |
C2H5NH+ |
Protonated Aziridine |
1.014 |
1 |
2 |
|
|
1.014 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.484 |
1 |
2 |
|
|
1.484 |
1 |
3 |
CH3CH2NH2 |
Ethylamine |
1.457 |
1 |
2 |
CH3NHCH3 |
Dimethylamine |
1.446 |
1 |
3 |
|
|
1.446 |
1 |
4 |
(CH3)2NH2+ |
dimethylammonium cation |
1.493 |
1 |
2 |
|
|
1.493 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.513 |
1 |
2 |
C2N2 |
Cyanogen |
1.156 |
1 |
3 |
|
|
1.156 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.239 |
1 |
3 |
|
|
1.239 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.158 |
3 |
4 |
|
|
1.270 |
1 |
2 |
|
|
1.336 |
2 |
3 |
C3H3N |
acrylonitrile |
1.156 |
1 |
2 |
C3H3N+ |
acrylonitrile cation |
1.176 |
1 |
2 |
CH3N3 |
methyl azide |
1.461 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.486 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.152 |
2 |
7 |
NH2COOH |
Carbamic acid |
1.353 |
1 |
3 |
CH3NCO |
methylisocyante |
1.425 |
1 |
2 |
|
|
1.195 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.423 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.153 |
3 |
4 |
|
|
1.449 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.350 |
1 |
3 |
|
|
1.350 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.483 |
1 |
2 |
NH2CONH2 |
Urea |
1.382 |
1 |
3 |
|
|
1.382 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.529 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.304 |
1 |
3 |
NH2CSNH2 |
Thiourea |
1.356 |
1 |
3 |
|
|
1.356 |
1 |
4 |
C2H5CN |
ethyl cyanide |
1.153 |
3 |
4 |
CH5N3 |
Guanidine |
1.273 |
1 |
2 |
|
|
1.389 |
1 |
3 |
|
|
1.386 |
1 |
4 |
CH3CONH2 |
Acetamide |
1.361 |
2 |
3 |
CH3CHNOH |
Acetaldoxime |
1.269 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.347 |
1 |
3 |
|
|
1.444 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.570 |
1 |
3 |
|
|
1.324 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.264 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.319 |
1 |
3 |
|
|
1.313 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.339 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.406 |
1 |
3 |
|
|
1.406 |
2 |
4 |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
1.466 |
1 |
3 |
|
|
1.466 |
2 |
4 |
CH6N3+ |
guanidinium |
1.326 |
1 |
2 |
|
|
1.326 |
1 |
3 |
|
|
1.326 |
1 |
4 |
CH3NNCH3 |
(E)-1,2-Dimethyldiazene |
1.453 |
1 |
3 |
|
|
1.453 |
2 |
4 |
C3H7N |
Cyclopropylamine |
1.435 |
1 |
3 |
CH7N3 |
triaminomethane |
1.451 |
1 |
3 |
|
|
1.451 |
1 |
4 |
|
|
1.451 |
1 |
5 |
HOCH2CH2NH2 |
monoethanolamine |
1.459 |
1 |
2 |
C2H8N2 |
Ethylenediamine |
1.455 |
1 |
3 |
|
|
1.455 |
2 |
4 |
CH3NHNHCH3 |
dimethyl hydrazine |
1.452 |
1 |
3 |
|
|
1.452 |
2 |
4 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.461 |
1 |
2 |
N(CH3)3 |
Trimethylamine |
1.444 |
1 |
2 |
|
|
1.444 |
1 |
3 |
|
|
1.444 |
1 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.454 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.512 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.020 |
1 |
2 |
|
|
1.490 |
1 |
3 |
|
|
1.490 |
1 |
4 |
C3H2N2 |
Malononitrile |
1.152 |
2 |
6 |
|
|
1.152 |
3 |
7 |
CH2N4 |
1H-Tetrazole |
1.336 |
1 |
2 |
|
|
1.307 |
1 |
5 |
C2H2N2O |
Furazan |
1.299 |
2 |
4 |
|
|
1.299 |
3 |
5 |
C3H3N2- |
imidizolyl anion |
1.341 |
1 |
2 |
|
|
1.341 |
1 |
3 |
|
|
1.360 |
2 |
4 |
|
|
1.360 |
3 |
5 |
C3H3N2 |
imidazolyl radical |
1.363 |
1 |
2 |
|
|
1.363 |
1 |
3 |
|
|
1.311 |
2 |
4 |
|
|
1.311 |
3 |
5 |
C3H3NO |
Isoxazole |
1.304 |
2 |
4 |
C3H3NO |
Oxazole |
1.285 |
2 |
3 |
|
|
1.381 |
3 |
4 |
C3H3NS |
Thiazole |
1.295 |
2 |
4 |
|
|
1.364 |
4 |
5 |
C3H4N2 |
1H-Pyrazole |
1.348 |
2 |
9 |
|
|
1.325 |
6 |
7 |
C3H4N2 |
1H-Imidazole |
1.303 |
2 |
4 |
|
|
1.372 |
4 |
5 |
|
|
1.356 |
1 |
2 |
|
|
1.371 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.277 |
2 |
3 |
|
|
1.444 |
3 |
4 |
|
|
1.418 |
1 |
2 |
|
|
1.281 |
1 |
5 |
C3H4N2 |
2H-Imidazole |
1.352 |
1 |
2 |
|
|
1.352 |
1 |
3 |
|
|
1.249 |
2 |
4 |
|
|
1.249 |
3 |
5 |
C4H4N- |
pyrrolide anion |
1.353 |
1 |
2 |
|
|
1.353 |
1 |
3 |
C4H4N |
pyrrolide radical |
1.337 |
1 |
2 |
|
|
1.337 |
1 |
3 |
C4H5N |
Pyrrole |
1.364 |
1 |
3 |
|
|
1.364 |
1 |
4 |
C4H5N |
(E)-2-Butenenitrile |
1.157 |
9 |
10 |
C4H5N |
(Z)-2-Butenenitrile |
1.157 |
1 |
2 |
C4H5N |
Cyclopropanecarbonitrile |
1.156 |
7 |
8 |
H2NCH2COOH |
Glycine |
1.442 |
4 |
5 |
CH2CHCONH2 |
Acrylamide |
1.360 |
2 |
3 |
CH3OCH2CN |
Methoxyacetonitrile |
1.152 |
4 |
5 |
CH5N3S |
Hydrazinecarbothioamide |
1.338 |
4 |
7 |
|
|
1.356 |
2 |
4 |
C3H6N2 |
3-Aminopropionitrile |
1.445 |
3 |
6 |
|
|
1.154 |
10 |
11 |
C4H6N+ |
pyrrole, protonated |
1.468 |
1 |
2 |
|
|
1.468 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.292 |
1 |
2 |
|
|
1.416 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.444 |
1 |
2 |
|
|
1.300 |
1 |
3 |
C2H6N2O |
Urea, methyl- |
1.382 |
7 |
10 |
|
|
1.439 |
1 |
6 |
|
|
1.370 |
6 |
7 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
1.153 |
1 |
2 |
CH3CH2CH2CN |
Butanenitrile |
1.153 |
1 |
2 |
C3H7NO |
dimethylformamide |
1.357 |
1 |
3 |
|
|
1.441 |
3 |
4 |
|
|
1.436 |
3 |
5 |
C3H7NO |
Propanamide |
1.361 |
3 |
5 |
C4H9N |
Pyrrolidine |
1.454 |
1 |
3 |
|
|
1.454 |
1 |
4 |
C4H9N |
Cyclobutylamine |
1.454 |
1 |
10 |
C3H10N2 |
1,2-Diaminopropane |
1.460 |
1 |
14 |
|
|
1.454 |
4 |
7 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
1.457 |
1 |
4 |
NH(C2H5)2 |
diethylamine |
1.448 |
1 |
2 |
|
|
1.448 |
1 |
3 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.461 |
1 |
8 |
NC4H12+ |
tetramethyl ammonium cation |
1.491 |
1 |
2 |
|
|
1.491 |
1 |
3 |
|
|
1.491 |
1 |
4 |
|
|
1.491 |
1 |
5 |
C4N2 |
2-Butynedinitrile |
1.160 |
3 |
5 |
|
|
1.160 |
4 |
6 |
CF3CN |
Acetonitrile, trifluoro- |
1.151 |
2 |
3 |
C2H2N4 |
sym-tetrazine |
1.330 |
1 |
3 |
|
|
1.330 |
2 |
5 |
|
|
1.330 |
2 |
6 |
C4H2N2 |
Fumaronitrile |
1.155 |
3 |
5 |
|
|
1.155 |
4 |
6 |
C3H3N3 |
1,3,5-Triazine |
1.328 |
1 |
5 |
|
|
1.328 |
1 |
6 |
|
|
1.328 |
2 |
4 |
|
|
1.328 |
2 |
5 |
|
|
1.328 |
3 |
4 |
|
|
1.328 |
3 |
6 |
CH3N5 |
5-Aminotetrazole |
1.341 |
1 |
3 |
|
|
1.315 |
1 |
6 |
|
|
1.369 |
1 |
9 |
C2H3NO3 |
Oxamic acid |
1.334 |
2 |
6 |
C4H4N2 |
Succinonitrile |
1.154 |
3 |
6 |
|
|
1.154 |
4 |
5 |
C4H4N2 |
Pyridazine |
1.328 |
3 |
10 |
|
|
1.328 |
4 |
9 |
C4H4N2 |
1,3-Diazine |
1.329 |
2 |
5 |
|
|
1.329 |
2 |
6 |
|
|
1.330 |
3 |
5 |
|
|
1.330 |
4 |
6 |
C4H4N2 |
Pyrazine |
1.329 |
1 |
3 |
|
|
1.329 |
1 |
4 |
|
|
1.329 |
2 |
5 |
|
|
1.329 |
2 |
6 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.342 |
2 |
7 |
|
|
1.314 |
1 |
2 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
1.338 |
1 |
2 |
|
|
1.311 |
1 |
5 |
|
|
1.442 |
2 |
7 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
1.323 |
2 |
3 |
|
|
1.344 |
2 |
4 |
|
|
1.441 |
6 |
10 |
C2H4N2O2 |
Oxalamide |
1.339 |
1 |
5 |
|
|
1.339 |
2 |
6 |
C2H4N2S2 |
Ethanedithioamide |
1.320 |
1 |
5 |
|
|
1.320 |
2 |
6 |
C5H5N |
Pyridine |
1.330 |
1 |
3 |
|
|
1.330 |
1 |
4 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.157 |
10 |
11 |
C4H5NO |
Isoxazole, 5-methyl- |
1.305 |
7 |
8 |
C4H5NO |
3-Methylisoxazole |
1.309 |
7 |
8 |
C4H5NS |
4-Methylthiazole |
1.372 |
2 |
9 |
|
|
1.295 |
3 |
9 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.312 |
7 |
8 |
|
|
1.370 |
8 |
9 |
|
|
1.361 |
5 |
7 |
|
|
1.371 |
5 |
11 |
C5H6N+ |
Pyridinium |
1.341 |
1 |
2 |
|
|
1.341 |
1 |
3 |
C2H6N2O2 |
Dimethylnitroamine |
1.445 |
6 |
12 |
|
|
1.445 |
10 |
12 |
C2H6N2O2 |
(E)-Azodioxymethane |
1.459 |
1 |
5 |
|
|
1.459 |
2 |
6 |
CH6N4S |
Carbonothioic dihydrazide |
1.347 |
1 |
3 |
|
|
1.367 |
1 |
5 |
C5H7N |
1H-Pyrrole, 1-methyl- |
1.439 |
1 |
13 |
|
|
1.365 |
9 |
13 |
|
|
1.365 |
11 |
13 |
C5H7N |
(E)-3-Pentenenitrile |
1.154 |
10 |
11 |
C5H7N |
(Z)-2-Pentenenitrile |
1.157 |
1 |
2 |
C5H7N |
(E)-2-Pentenenitrile |
1.157 |
1 |
2 |
NH2COOC2H5 |
Urethane |
1.373 |
9 |
12 |
CH3CH(NH2)COOH |
Alanine |
1.464 |
1 |
3 |
C4H7NO |
Methacrylamide |
1.092 |
4 |
6 |
NH2CH2CH2COOH |
β–alanine |
1.466 |
1 |
2 |
CH3NHCH2COOH |
Sarcosine |
1.454 |
1 |
2 |
|
|
1.453 |
1 |
3 |
C4H7NO |
2-Pyrrolidinone |
1.365 |
1 |
2 |
|
|
1.442 |
1 |
5 |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
1.460 |
3 |
4 |
|
|
1.267 |
4 |
6 |
C4H7NO |
Ethoxyacetonitrile |
1.151 |
5 |
6 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.374 |
1 |
3 |
|
|
1.374 |
1 |
4 |
|
|
1.440 |
3 |
5 |
|
|
1.440 |
4 |
6 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.370 |
3 |
4 |
|
|
1.388 |
3 |
6 |
|
|
1.441 |
4 |
10 |
|
|
1.439 |
4 |
14 |
NH2CONHC2H5 |
Urea, ethyl- |
1.445 |
5 |
8 |
|
|
1.370 |
8 |
13 |
|
|
1.383 |
10 |
13 |
C5H9N |
Pentanenitrile |
1.154 |
5 |
6 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
1.155 |
2 |
6 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.456 |
10 |
15 |
|
|
1.455 |
13 |
15 |
C5H9N |
Butanenitrile, 2-methyl- |
1.154 |
1 |
2 |
C4H9NO |
Butanamide |
1.361 |
11 |
14 |
C4H9NO |
Propanamide, 2-methyl- |
1.358 |
10 |
13 |
C5H11N |
Piperidine |
1.452 |
6 |
8 |
|
|
1.452 |
7 |
8 |
C5H11N |
Cyclopentanamine |
1.454 |
1 |
2 |
C4H11NO |
Diethylhydroxylamine |
1.451 |
1 |
6 |
|
|
1.451 |
1 |
7 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.465 |
1 |
7 |
|
|
1.452 |
4 |
10 |
C4H12N2 |
1,2-Butanediamine |
1.453 |
1 |
14 |
|
|
1.463 |
8 |
17 |
CH(CN)3 |
tricyanomethane |
1.150 |
3 |
6 |
|
|
1.150 |
4 |
7 |
|
|
1.150 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.196 |
2 |
3 |
|
|
1.154 |
4 |
6 |
|
|
1.154 |
5 |
7 |
C5H5NO |
3-Pyridinol |
1.326 |
1 |
2 |
|
|
1.329 |
1 |
6 |
C5H5NO |
2-Pyridinol |
1.322 |
1 |
2 |
|
|
1.334 |
1 |
6 |
C5H5NO |
4-Pyridinol |
1.329 |
1 |
2 |
|
|
1.333 |
1 |
6 |
C5H5NO |
3(2H)-Pyridinone |
1.441 |
1 |
2 |
|
|
1.273 |
1 |
6 |
C5H5NO |
3(6H)-Pyridinone |
1.270 |
1 |
2 |
|
|
1.439 |
1 |
6 |
C5H5NO |
3(4H)-Pyridinone |
1.278 |
1 |
2 |
|
|
1.400 |
1 |
6 |
C5H5NO |
2(5H)-Pyridinone |
1.424 |
1 |
2 |
|
|
1.272 |
1 |
6 |
C5H5NO |
2(3H)-Pyridinone |
1.410 |
1 |
2 |
|
|
1.283 |
1 |
6 |
C5H5NO |
4(3H)-Pryidinone |
1.276 |
1 |
2 |
|
|
1.399 |
1 |
6 |
C5H5NO |
4(1H)-Pryidinone |
1.363 |
1 |
2 |
|
|
1.363 |
1 |
6 |
C5H5NO |
2(1H)-Pyridinone |
1.403 |
1 |
2 |
|
|
1.354 |
1 |
6 |
C6H5NH2 |
aniline |
1.389 |
1 |
7 |
HO2CCHNH2CH2OH |
Serine |
1.450 |
4 |
7 |
C6H13N |
cyclohexanamine |
1.457 |
4 |
7 |
C6H15N |
triethylamine |
1.454 |
1 |
2 |
|
|
1.454 |
1 |
3 |
|
|
1.454 |
1 |
4 |
C6H5NO |
nitrosobenzene |
1.437 |
1 |
7 |
C8H6 |
benzocyclobutadiene |
1.348 |
4 |
8 |
|
|
1.508 |
5 |
8 |
|
|
1.425 |
7 |
8 |
C5H9NO2 |
Proline |
1.446 |
1 |
5 |
|
|
1.453 |
4 |
5 |
C6H12N2 |
Triethylenediamine |
1.457 |
1 |
3 |
|
|
1.457 |
1 |
4 |
|
|
1.457 |
1 |
5 |
|
|
1.457 |
2 |
6 |
|
|
1.457 |
2 |
7 |
|
|
1.457 |
2 |
8 |
C(CN)4 |
tetracyanomethane |
1.150 |
2 |
6 |
|
|
1.150 |
3 |
7 |
|
|
1.150 |
4 |
8 |
|
|
1.150 |
5 |
9 |
C3Cl3N3 |
1,3,5-Triazine, 2,4,6-trichloro- |
1.321 |
1 |
5 |
|
|
1.321 |
1 |
6 |
|
|
1.321 |
2 |
4 |
|
|
1.321 |
2 |
6 |
|
|
1.321 |
3 |
4 |
|
|
1.321 |
3 |
5 |
C3H3N3O3 |
cyanuric acid |
1.380 |
1 |
4 |
|
|
1.380 |
1 |
6 |
|
|
1.380 |
2 |
4 |
|
|
1.380 |
2 |
5 |
|
|
1.380 |
3 |
5 |
|
|
1.380 |
3 |
6 |
C5H4N4 |
purine |
1.320 |
2 |
3 |
|
|
1.356 |
4 |
9 |
|
|
1.377 |
5 |
7 |
|
|
1.377 |
8 |
9 |
|
|
1.300 |
7 |
8 |
|
|
1.325 |
3 |
4 |
|
|
1.346 |
1 |
2 |
|
|
1.318 |
1 |
6 |
C6H5NO2 |
Nitrobenzene |
1.468 |
1 |
7 |
C6N4 |
Tetracyanoethylene |
1.152 |
3 |
7 |
|
|
1.152 |
4 |
8 |
|
|
1.152 |
5 |
9 |
|
|
1.152 |
6 |
10 |
C12H10N2 |
azobenzene |
1.411 |
1 |
3 |
|
|
1.411 |
2 |
4 |