Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.197 |
1 |
2 |
CN |
Cyano radical |
1.209 |
1 |
2 |
CN+ |
Cyano cation |
1.249 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.188 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.295 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.205 |
1 |
2 |
HNC+ |
hydrogen isocyanide cation |
1.188 |
1 |
2 |
H2CN |
Dihydrogen cyanide radical |
1.297 |
1 |
2 |
H2CN+ |
hydrocyanonium cation |
1.282 |
1 |
2 |
CNH2 |
Aminomethylidyne radical |
1.345 |
1 |
2 |
CNH2+ |
N-protonated hydrogen isocyanide |
1.318 |
1 |
2 |
HCNH |
methyleneazane |
1.273 |
1 |
2 |
HCNH+ |
N-protonated HCN |
1.178 |
1 |
2 |
CH2NH |
Methanimine |
1.304 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.284 |
1 |
2 |
CHNH2 |
aminomethylene |
1.347 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.311 |
1 |
2 |
CH3NH2 |
methyl amine |
1.503 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.475 |
1 |
2 |
CH3NH3+ |
protonated methylamine |
1.536 |
1 |
2 |
NCN |
Cyanoimidogen |
1.285 |
1 |
2 |
|
|
1.285 |
1 |
3 |
LiCN |
lithium cyanide |
1.212 |
2 |
3 |
CNN |
Diazocarbene |
1.248 |
1 |
2 |
CN2 |
3H-Diazirin-3-ylidene |
1.481 |
1 |
2 |
|
|
1.481 |
1 |
3 |
NaCN |
Sodium Cyanide |
1.191 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.193 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.208 |
2 |
3 |
KCN |
Potassium cyanide |
1.211 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.225 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.250 |
2 |
3 |
NCO- |
cyanate |
1.221 |
1 |
2 |
NCO |
isocyanato radical |
1.259 |
1 |
2 |
CNO- |
fulminate |
1.222 |
1 |
2 |
SCN |
thiocyanato radical |
1.219 |
1 |
3 |
FCN |
Cyanogen fluoride |
1.204 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.219 |
1 |
2 |
ClCN |
chlorocyanogen |
1.200 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.198 |
1 |
2 |
ICN |
Cyanogen iodide |
1.195 |
2 |
3 |
HCCN |
cyanomethylene |
1.293 |
2 |
3 |
HNCO |
Isocyanic acid |
1.269 |
2 |
3 |
HOCN |
cyanic acid |
1.201 |
1 |
2 |
HCNO |
fulminic acid |
1.213 |
2 |
3 |
HSCN |
thiocyanic acid |
1.195 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.253 |
1 |
2 |
HNCNH |
diiminomethane |
1.269 |
1 |
2 |
|
|
1.269 |
1 |
3 |
CH2N2 |
diazirine |
1.525 |
1 |
2 |
|
|
1.525 |
1 |
3 |
CH2NN |
diazomethane |
1.317 |
1 |
2 |
NH2CN |
cyanamide |
1.199 |
1 |
2 |
|
|
1.399 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.250 |
2 |
3 |
CH3CN |
Acetonitrile |
1.190 |
2 |
3 |
CH3CN+ |
Acetonitrile cation |
1.286 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.309 |
1 |
2 |
|
|
1.577 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.280 |
1 |
2 |
|
|
1.545 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.554 |
1 |
2 |
|
|
1.554 |
1 |
3 |
CH3NC |
methyl isocyanide |
1.458 |
1 |
2 |
|
|
1.208 |
2 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.200 |
1 |
2 |
|
|
1.458 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.211 |
1 |
2 |
|
|
1.315 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.459 |
1 |
2 |
|
|
1.200 |
1 |
3 |
H2CCNH |
Ethenimine |
1.266 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.403 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.187 |
1 |
2 |
|
|
1.322 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.301 |
1 |
2 |
|
|
1.259 |
2 |
3 |
CHONH2 |
formamide |
1.431 |
1 |
3 |
CH2NOH |
formaldoxime |
1.317 |
1 |
2 |
CH3NO |
nitrosomethane |
1.576 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.508 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.308 |
1 |
3 |
CHSNH2 |
thioformamide |
1.396 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.309 |
1 |
2 |
NHCHNH2 |
aminomethanimine |
1.427 |
1 |
2 |
|
|
1.313 |
1 |
3 |
CH3CHN |
methylmethaniminyl radical |
1.300 |
1 |
3 |
CH2CHNH |
vinylazine |
1.386 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.341 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.341 |
1 |
3 |
C2H5N |
Aziridine |
1.522 |
1 |
3 |
|
|
1.522 |
1 |
4 |
CH2CHNH2 |
aminoethene |
1.436 |
2 |
3 |
CH2NCH3 |
N-methylmethanimine |
1.514 |
1 |
2 |
|
|
1.303 |
2 |
3 |
CH3CHNH |
ethanimine |
1.304 |
2 |
3 |
NH2CH2OH |
aminomethanol |
1.503 |
1 |
2 |
NH2CH2NH2 |
diaminomethane |
1.505 |
1 |
2 |
|
|
1.505 |
1 |
3 |
C2H5NH+ |
Protonated Aziridine |
1.054 |
1 |
2 |
|
|
1.054 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.526 |
1 |
2 |
|
|
1.526 |
1 |
3 |
CH3CH2NH2 |
Ethylamine |
1.507 |
1 |
2 |
CH3NHCH3 |
Dimethylamine |
1.502 |
1 |
3 |
|
|
1.502 |
1 |
4 |
(CH3)2NH2+ |
dimethylammonium cation |
1.535 |
1 |
2 |
|
|
1.535 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.551 |
1 |
2 |
C2N2 |
Cyanogen |
1.203 |
1 |
3 |
|
|
1.203 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.287 |
1 |
3 |
|
|
1.287 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.315 |
1 |
2 |
|
|
1.199 |
3 |
4 |
|
|
1.417 |
2 |
3 |
C3H3N |
acrylonitrile |
1.197 |
1 |
2 |
C3H3N+ |
acrylonitrile cation |
1.236 |
1 |
2 |
CH3N3 |
methyl azide |
1.528 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.566 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.192 |
2 |
7 |
NH2COOH |
Carbamic acid |
1.442 |
1 |
3 |
CH3NCO |
methylisocyante |
1.487 |
1 |
2 |
|
|
1.259 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.528 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.191 |
3 |
4 |
|
|
1.504 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.381 |
1 |
3 |
|
|
1.381 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.516 |
1 |
2 |
NH2CONH2 |
Urea |
1.460 |
1 |
3 |
|
|
1.460 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.626 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.357 |
1 |
3 |
NH2CSNH2 |
Thiourea |
1.442 |
1 |
3 |
|
|
1.442 |
1 |
4 |
C2H5CN |
ethyl cyanide |
1.190 |
3 |
4 |
CH5N3 |
Guanidine |
1.313 |
1 |
2 |
|
|
1.448 |
1 |
3 |
|
|
1.447 |
1 |
4 |
CH3CONH2 |
Acetamide |
1.444 |
2 |
3 |
CH3CHNOH |
Acetaldoxime |
1.323 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.415 |
1 |
3 |
|
|
1.476 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.668 |
1 |
3 |
|
|
1.372 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.311 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.365 |
1 |
3 |
|
|
1.360 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.417 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.450 |
1 |
3 |
|
|
1.450 |
2 |
4 |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
1.540 |
1 |
3 |
|
|
1.540 |
2 |
4 |
CH6N3+ |
guanidinium |
1.367 |
1 |
2 |
|
|
1.367 |
1 |
3 |
|
|
1.367 |
1 |
4 |
CH3NNCH3 |
(E)-1,2-Dimethyldiazene |
1.533 |
1 |
3 |
|
|
1.533 |
2 |
4 |
C3H7N |
Cyclopropylamine |
1.489 |
1 |
3 |
CH7N3 |
triaminomethane |
1.508 |
1 |
3 |
|
|
1.508 |
1 |
4 |
|
|
1.508 |
1 |
5 |
HOCH2CH2NH2 |
monoethanolamine |
1.505 |
1 |
2 |
C2H8N2 |
Ethylenediamine |
1.506 |
1 |
3 |
|
|
1.506 |
2 |
4 |
CH3NHNHCH3 |
dimethyl hydrazine |
1.516 |
1 |
3 |
|
|
1.516 |
2 |
4 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.516 |
1 |
2 |
N(CH3)3 |
Trimethylamine |
1.501 |
1 |
2 |
|
|
1.501 |
1 |
3 |
|
|
1.501 |
1 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.504 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.552 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.061 |
1 |
2 |
|
|
1.536 |
1 |
3 |
|
|
1.536 |
1 |
4 |
C3H2N2 |
Malononitrile |
1.193 |
2 |
6 |
|
|
1.193 |
3 |
7 |
CH2N4 |
1H-Tetrazole |
1.382 |
1 |
2 |
|
|
1.346 |
1 |
5 |
C2H2N2O |
Furazan |
1.358 |
2 |
4 |
|
|
1.358 |
3 |
5 |
C3H3N2- |
imidizolyl anion |
1.387 |
1 |
2 |
|
|
1.387 |
1 |
3 |
|
|
1.395 |
2 |
4 |
|
|
1.395 |
3 |
5 |
C3H3N2 |
imidazolyl radical |
1.432 |
1 |
2 |
|
|
1.432 |
1 |
3 |
|
|
1.353 |
2 |
4 |
|
|
1.353 |
3 |
5 |
C3H3NO |
Isoxazole |
1.361 |
2 |
4 |
C3H3NO |
Oxazole |
1.340 |
2 |
3 |
|
|
1.426 |
3 |
4 |
C3H3NS |
Thiazole |
1.334 |
2 |
4 |
|
|
1.430 |
4 |
5 |
C3H4N2 |
1H-Pyrazole |
1.375 |
6 |
7 |
|
|
1.389 |
2 |
9 |
C3H4N2 |
1H-Imidazole |
1.351 |
2 |
4 |
|
|
1.420 |
4 |
5 |
|
|
1.395 |
1 |
2 |
|
|
1.400 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.318 |
2 |
3 |
|
|
1.517 |
3 |
4 |
|
|
1.321 |
1 |
5 |
|
|
1.489 |
1 |
2 |
C3H4N2 |
2H-Imidazole |
1.389 |
1 |
2 |
|
|
1.389 |
1 |
3 |
|
|
1.277 |
2 |
4 |
|
|
1.277 |
3 |
5 |
C4H4N- |
pyrrolide anion |
1.394 |
1 |
2 |
|
|
1.394 |
1 |
3 |
C4H4N |
pyrrolide radical |
1.389 |
1 |
2 |
|
|
1.389 |
1 |
3 |
C4H5N |
Pyrrole |
1.399 |
1 |
3 |
|
|
1.399 |
1 |
4 |
C4H5N |
(E)-2-Butenenitrile |
1.197 |
9 |
10 |
C4H5N |
(Z)-2-Butenenitrile |
1.197 |
1 |
2 |
C4H5N |
Cyclopropanecarbonitrile |
1.194 |
7 |
8 |
H2NCH2COOH |
Glycine |
1.502 |
4 |
5 |
CH2CHCONH2 |
Acrylamide |
1.447 |
2 |
3 |
CH3OCH2CN |
Methoxyacetonitrile |
1.192 |
4 |
5 |
CH5N3S |
Hydrazinecarbothioamide |
1.464 |
4 |
7 |
|
|
1.443 |
2 |
4 |
C3H6N2 |
3-Aminopropionitrile |
1.498 |
3 |
6 |
|
|
1.193 |
10 |
11 |
C4H6N+ |
pyrrole, protonated |
1.517 |
1 |
2 |
|
|
1.517 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.331 |
1 |
2 |
|
|
1.460 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.491 |
1 |
2 |
|
|
1.338 |
1 |
3 |
C2H6N2O |
Urea, methyl- |
1.492 |
1 |
6 |
|
|
1.461 |
7 |
10 |
|
|
1.458 |
6 |
7 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
1.191 |
1 |
2 |
CH3CH2CH2CN |
Butanenitrile |
1.190 |
1 |
2 |
C3H7NO |
dimethylformamide |
1.422 |
1 |
3 |
|
|
1.473 |
3 |
4 |
|
|
1.472 |
3 |
5 |
C3H7NO |
Propanamide |
1.445 |
3 |
5 |
C4H9N |
Pyrrolidine |
1.509 |
1 |
3 |
|
|
1.509 |
1 |
4 |
C4H9N |
Cyclobutylamine |
1.504 |
1 |
10 |
C3H10N2 |
1,2-Diaminopropane |
1.503 |
4 |
7 |
|
|
1.517 |
1 |
14 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
1.510 |
1 |
4 |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
1.504 |
1 |
2 |
NH(C2H5)2 |
diethylamine |
1.504 |
1 |
2 |
|
|
1.504 |
1 |
3 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.515 |
1 |
8 |
NC4H12+ |
tetramethyl ammonium cation |
1.539 |
1 |
2 |
|
|
1.539 |
1 |
3 |
|
|
1.539 |
1 |
4 |
|
|
1.539 |
1 |
5 |
C4N2 |
2-Butynedinitrile |
1.205 |
3 |
5 |
|
|
1.205 |
4 |
6 |
CF3CN |
Acetonitrile, trifluoro- |
1.196 |
2 |
3 |
C2H2N4 |
sym-tetrazine |
1.390 |
1 |
3 |
|
|
1.390 |
2 |
5 |
|
|
1.390 |
2 |
6 |
C4H2N2 |
Fumaronitrile |
1.196 |
3 |
5 |
|
|
1.196 |
4 |
6 |
C3H3N3 |
1,3,5-Triazine |
1.383 |
3 |
4 |
|
|
1.383 |
2 |
4 |
|
|
1.383 |
2 |
5 |
|
|
1.383 |
1 |
5 |
|
|
1.383 |
1 |
6 |
|
|
1.383 |
3 |
6 |
CH3N5 |
5-Aminotetrazole |
1.389 |
1 |
3 |
|
|
1.370 |
1 |
6 |
|
|
1.428 |
1 |
9 |
C2H3NO3 |
Oxamic acid |
1.378 |
2 |
6 |
C4H4N2 |
Succinonitrile |
1.193 |
4 |
5 |
|
|
1.193 |
3 |
6 |
C4H4N2 |
Pyridazine |
1.384 |
4 |
9 |
|
|
1.384 |
3 |
10 |
C4H4N2 |
1,3-Diazine |
1.383 |
2 |
5 |
|
|
1.382 |
3 |
5 |
|
|
1.383 |
2 |
6 |
|
|
1.382 |
4 |
6 |
C4H4N2 |
Pyrazine |
1.382 |
1 |
3 |
|
|
1.382 |
1 |
4 |
|
|
1.382 |
2 |
5 |
|
|
1.382 |
2 |
6 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.388 |
2 |
7 |
|
|
1.364 |
1 |
2 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
1.387 |
1 |
2 |
|
|
1.358 |
1 |
5 |
|
|
1.489 |
2 |
7 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
1.372 |
2 |
3 |
|
|
1.406 |
2 |
4 |
|
|
1.492 |
6 |
10 |
C2H4N2O2 |
Oxalamide |
1.410 |
1 |
5 |
|
|
1.410 |
2 |
6 |
C2H4N2S2 |
Ethanedithioamide |
1.358 |
1 |
5 |
|
|
1.358 |
2 |
6 |
C5H5N |
Pyridine |
1.381 |
1 |
3 |
|
|
1.381 |
1 |
4 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.197 |
10 |
11 |
C4H5NO |
Isoxazole, 5-methyl- |
1.363 |
7 |
8 |
C4H5NO |
3-Methylisoxazole |
1.368 |
7 |
8 |
C4H5NS |
4-Methylthiazole |
1.334 |
3 |
9 |
|
|
1.440 |
2 |
9 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.358 |
7 |
8 |
|
|
1.421 |
8 |
9 |
|
|
1.401 |
5 |
11 |
|
|
1.402 |
5 |
7 |
C5H6N+ |
Pyridinium |
1.382 |
1 |
2 |
|
|
1.382 |
1 |
3 |
C2H6N2O2 |
Dimethylnitroamine |
1.504 |
6 |
12 |
|
|
1.504 |
10 |
12 |
C2H6N2O2 |
(E)-Azodioxymethane |
1.580 |
1 |
5 |
|
|
1.580 |
2 |
6 |
CH6N4S |
Carbonothioic dihydrazide |
1.420 |
1 |
3 |
|
|
1.459 |
1 |
5 |
C5H7N |
1H-Pyrrole, 1-methyl- |
1.404 |
11 |
13 |
|
|
1.404 |
9 |
13 |
|
|
1.482 |
1 |
13 |
C5H7N |
Cyclobutanecarbonitrile |
1.194 |
1 |
2 |
C5H7N |
(E)-3-Pentenenitrile |
1.193 |
10 |
11 |
C5H7N |
(Z)-2-Pentenenitrile |
1.197 |
1 |
2 |
C5H7N |
(E)-2-Pentenenitrile |
1.197 |
1 |
2 |
NH2COOC2H5 |
Urethane |
1.473 |
9 |
12 |
C4H7NO |
Methacrylamide |
1.100 |
4 |
6 |
C4H7NO |
2-Pyrrolidinone |
1.436 |
1 |
2 |
|
|
1.480 |
1 |
5 |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
1.524 |
3 |
4 |
|
|
1.317 |
4 |
6 |
C4H7NO |
Ethoxyacetonitrile |
1.191 |
5 |
6 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.455 |
1 |
3 |
|
|
1.455 |
1 |
4 |
|
|
1.485 |
3 |
5 |
|
|
1.485 |
4 |
6 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.436 |
3 |
4 |
|
|
1.475 |
3 |
6 |
|
|
1.478 |
4 |
10 |
|
|
1.480 |
4 |
14 |
NH2CONHC2H5 |
Urea, ethyl- |
1.499 |
5 |
8 |
|
|
1.462 |
10 |
13 |
|
|
1.459 |
8 |
13 |
C5H9N |
Pentanenitrile |
1.193 |
5 |
6 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
1.193 |
2 |
6 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.508 |
10 |
15 |
|
|
1.508 |
13 |
15 |
C5H9N |
Butanenitrile, 2-methyl- |
1.193 |
1 |
2 |
C4H9NO |
Butanamide |
1.445 |
11 |
14 |
C4H9NO |
Propanamide, 2-methyl- |
1.445 |
10 |
13 |
C5H11N |
Piperidine |
1.507 |
6 |
8 |
|
|
1.507 |
7 |
8 |
C5H11N |
Cyclopentanamine |
1.515 |
1 |
2 |
C4H11NO |
Diethylhydroxylamine |
1.527 |
1 |
6 |
|
|
1.527 |
1 |
7 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.518 |
1 |
7 |
|
|
1.502 |
4 |
10 |
C4H12N2 |
1,2-Butanediamine |
1.509 |
1 |
14 |
|
|
1.515 |
8 |
17 |
CH(CN)3 |
tricyanomethane |
1.192 |
3 |
6 |
|
|
1.192 |
4 |
7 |
|
|
1.192 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.249 |
2 |
3 |
|
|
1.196 |
4 |
6 |
|
|
1.196 |
5 |
7 |
C5H5NO |
3-Pyridinol |
1.374 |
1 |
2 |
|
|
1.380 |
1 |
6 |
C5H5NO |
2-Pyridinol |
1.385 |
1 |
2 |
|
|
1.379 |
1 |
6 |
C5H5NO |
4-Pyridinol |
1.380 |
1 |
2 |
|
|
1.385 |
1 |
6 |
C5H5NO |
3(2H)-Pyridinone |
1.513 |
1 |
2 |
|
|
1.317 |
1 |
6 |
C5H5NO |
3(6H)-Pyridinone |
1.312 |
1 |
2 |
|
|
1.514 |
1 |
6 |
C5H5NO |
3(4H)-Pyridinone |
1.321 |
1 |
2 |
|
|
1.466 |
1 |
6 |
C5H5NO |
2(5H)-Pyridinone |
1.516 |
1 |
2 |
|
|
1.310 |
1 |
6 |
C5H5NO |
2(3H)-Pyridinone |
1.509 |
1 |
2 |
|
|
1.322 |
1 |
6 |
C5H5NO |
4(3H)-Pryidinone |
1.317 |
1 |
2 |
|
|
1.466 |
1 |
6 |
C5H5NO |
4(1H)-Pryidinone |
1.406 |
1 |
2 |
|
|
1.406 |
1 |
6 |
C5H5NO |
2(1H)-Pyridinone |
1.474 |
1 |
2 |
|
|
1.392 |
1 |
6 |
C6H5NH2 |
aniline |
1.437 |
1 |
7 |
HO2CCHNH2CH2OH |
Serine |
1.477 |
4 |
7 |
C6H13N |
cyclohexanamine |
1.509 |
4 |
7 |
C6H15N |
triethylamine |
1.511 |
1 |
2 |
|
|
1.511 |
1 |
3 |
|
|
1.511 |
1 |
4 |
C6H5CN |
phenyl cyanide |
1.196 |
1 |
2 |
C6H5NO |
nitrosobenzene |
1.541 |
1 |
7 |
C8H6 |
benzocyclobutadiene |
1.362 |
4 |
8 |
|
|
1.537 |
5 |
8 |
|
|
1.441 |
7 |
8 |
C5H9NO2 |
Proline |
1.485 |
4 |
5 |
|
|
1.482 |
1 |
5 |
C6H12N2 |
Triethylenediamine |
1.511 |
1 |
3 |
|
|
1.511 |
1 |
4 |
|
|
1.511 |
1 |
5 |
|
|
1.511 |
2 |
6 |
|
|
1.511 |
2 |
7 |
|
|
1.511 |
2 |
8 |
C(CN)4 |
tetracyanomethane |
1.194 |
2 |
6 |
|
|
1.194 |
3 |
7 |
|
|
1.194 |
4 |
8 |
|
|
1.194 |
5 |
9 |
C3Cl3N3 |
1,3,5-Triazine, 2,4,6-trichloro- |
1.379 |
3 |
4 |
|
|
1.379 |
2 |
4 |
|
|
1.379 |
3 |
5 |
|
|
1.379 |
1 |
5 |
|
|
1.379 |
1 |
6 |
|
|
1.379 |
2 |
6 |
C3H3N3O3 |
cyanuric acid |
1.439 |
1 |
4 |
|
|
1.439 |
2 |
4 |
|
|
1.439 |
2 |
5 |
|
|
1.439 |
3 |
5 |
|
|
1.439 |
3 |
6 |
|
|
1.439 |
1 |
6 |
C5H4N4 |
purine |
1.413 |
8 |
9 |
|
|
1.391 |
4 |
9 |
|
|
1.363 |
2 |
3 |
|
|
1.425 |
5 |
7 |
|
|
1.341 |
7 |
8 |
|
|
1.373 |
3 |
4 |
|
|
1.356 |
1 |
6 |
|
|
1.392 |
1 |
2 |
C6H5NO2 |
Nitrobenzene |
1.546 |
1 |
7 |
C8H7N |
Indole |
1.407 |
1 |
2 |
|
|
1.404 |
1 |
8 |
C6N4 |
Tetracyanoethylene |
1.197 |
3 |
7 |
|
|
1.197 |
4 |
8 |
|
|
1.197 |
5 |
9 |
|
|
1.197 |
6 |
10 |
C12H10N2 |
azobenzene |
1.489 |
1 |
3 |
|
|
1.489 |
2 |
4 |