Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.180 |
1 |
2 |
CN |
Cyano radical |
1.172 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.154 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.216 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.170 |
1 |
2 |
HNC+ |
hydrogen isocyanide cation |
1.139 |
1 |
2 |
CH2NH |
Methanimine |
1.273 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.236 |
1 |
2 |
CHNH2 |
aminomethylene |
1.316 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.276 |
1 |
2 |
CH3NH2 |
methyl amine |
1.466 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.432 |
1 |
2 |
CH3NH3 |
methyl ammonium radical |
1.504 |
1 |
2 |
LiCN |
lithium cyanide |
1.183 |
2 |
3 |
CNN |
Diazocarbene |
1.230 |
1 |
2 |
NaCN |
Sodium Cyanide |
1.182 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.168 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.184 |
2 |
3 |
KCN |
Potassium cyanide |
1.181 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.165 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.180 |
2 |
3 |
NCO |
isocyanato radical |
1.228 |
1 |
2 |
FCN |
Cyanogen fluoride |
1.157 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.176 |
1 |
2 |
ClCN |
chlorocyanogen |
1.158 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.160 |
1 |
2 |
HCNO |
fulminic acid |
1.157 |
2 |
3 |
HSCN |
thiocyanic acid |
1.162 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.199 |
1 |
2 |
HNCNH |
diiminomethane |
1.225 |
1 |
2 |
|
|
1.225 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.230 |
2 |
3 |
CH3CN |
Acetonitrile |
1.158 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.259 |
1 |
2 |
|
|
1.562 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.211 |
1 |
2 |
|
|
1.474 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.517 |
1 |
2 |
|
|
1.517 |
1 |
3 |
CH3NC |
methyl isocyanide |
1.422 |
1 |
2 |
|
|
1.170 |
2 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.156 |
1 |
2 |
|
|
1.410 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.149 |
1 |
2 |
|
|
1.289 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.410 |
1 |
2 |
|
|
1.156 |
1 |
3 |
H2CCNH |
Ethenimine |
1.229 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.365 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.148 |
1 |
2 |
|
|
1.288 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.274 |
1 |
2 |
|
|
1.226 |
2 |
3 |
CHONH2 |
formamide |
1.361 |
1 |
3 |
CH2NOH |
formaldoxime |
1.273 |
1 |
2 |
CH3NO |
nitrosomethane |
1.486 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.435 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.261 |
1 |
3 |
CHSNH2 |
thioformamide |
1.339 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.269 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.295 |
1 |
3 |
NH2CH2OH |
aminomethanol |
1.443 |
1 |
2 |
C2H5NH+ |
Protonated Aziridine |
1.015 |
1 |
2 |
|
|
1.015 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.495 |
1 |
2 |
|
|
1.495 |
1 |
3 |
CH3CH2NH2 |
Ethylamine |
1.466 |
1 |
2 |
CH3NHCH3 |
Dimethylamine |
1.454 |
1 |
3 |
|
|
1.454 |
1 |
4 |
(CH3)2NH2+ |
dimethylammonium cation |
1.500 |
1 |
2 |
|
|
1.500 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.518 |
1 |
2 |
C2N2 |
Cyanogen |
1.159 |
1 |
3 |
|
|
1.159 |
2 |
4 |
HCCCN |
Cyanoacetylene |
1.158 |
1 |
2 |
HNCCNH |
Ethenediimine |
1.248 |
1 |
3 |
|
|
1.248 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.162 |
3 |
4 |
|
|
1.278 |
1 |
2 |
|
|
1.358 |
2 |
3 |
C3H3N |
acrylonitrile |
1.158 |
1 |
2 |
CH3N3 |
methyl azide |
1.474 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.491 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.158 |
2 |
7 |
CH3NCO |
methylisocyante |
1.443 |
1 |
2 |
|
|
1.201 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.439 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.159 |
3 |
4 |
|
|
1.457 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.361 |
1 |
3 |
|
|
1.361 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.489 |
1 |
2 |
NH2CONH2 |
Urea |
1.384 |
1 |
3 |
|
|
1.384 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.522 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.306 |
1 |
3 |
C2H5CN |
ethyl cyanide |
1.158 |
3 |
4 |
CH3CONH2 |
Acetamide |
1.368 |
2 |
3 |
CH3CHNOH |
Acetaldoxime |
1.272 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.351 |
1 |
3 |
|
|
1.452 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.557 |
1 |
3 |
|
|
1.331 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.268 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.321 |
1 |
3 |
|
|
1.315 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.343 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.420 |
1 |
3 |
|
|
1.420 |
2 |
4 |
C3H7N |
Cyclopropylamine |
1.438 |
1 |
3 |
CH7N3 |
triaminomethane |
1.457 |
1 |
3 |
|
|
1.457 |
1 |
4 |
|
|
1.457 |
1 |
5 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.464 |
1 |
2 |
N(CH3)3 |
Trimethylamine |
1.450 |
1 |
2 |
|
|
1.450 |
1 |
3 |
|
|
1.450 |
1 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.463 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.518 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.021 |
1 |
2 |
|
|
1.496 |
1 |
3 |
|
|
1.496 |
1 |
4 |
C2H2N2O |
Furazan |
1.302 |
2 |
4 |
|
|
1.302 |
3 |
5 |
C3H3NO |
Isoxazole |
1.307 |
2 |
4 |
C3H3NS |
Thiazole |
1.298 |
2 |
4 |
|
|
1.381 |
4 |
5 |
C3H4N2 |
1H-Imidazole |
1.310 |
2 |
4 |
|
|
1.382 |
4 |
5 |
|
|
1.360 |
1 |
2 |
|
|
1.378 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.280 |
2 |
3 |
|
|
1.460 |
3 |
4 |
|
|
1.435 |
1 |
2 |
|
|
1.285 |
1 |
5 |
C3H4N2 |
2H-Imidazole |
1.360 |
1 |
2 |
|
|
1.360 |
1 |
3 |
|
|
1.253 |
2 |
4 |
|
|
1.253 |
3 |
5 |
C4H5N |
Pyrrole |
1.371 |
1 |
3 |
|
|
1.371 |
1 |
4 |
CH3OCH2CN |
Methoxyacetonitrile |
1.158 |
4 |
5 |
C4H6N+ |
pyrrole, protonated |
1.479 |
1 |
2 |
|
|
1.479 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.292 |
1 |
2 |
|
|
1.435 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.460 |
1 |
2 |
|
|
1.298 |
1 |
3 |
NH(C2H5)2 |
diethylamine |
1.458 |
1 |
2 |
|
|
1.458 |
1 |
3 |
C2H4N2S2 |
Ethanedithioamide |
1.325 |
1 |
5 |
|
|
1.325 |
2 |
6 |
C5H6N+ |
Pyridinium |
1.346 |
1 |
2 |
|
|
1.346 |
1 |
3 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.383 |
1 |
3 |
|
|
1.383 |
1 |
4 |
|
|
1.454 |
3 |
5 |
|
|
1.454 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.157 |
3 |
6 |
|
|
1.157 |
4 |
7 |
|
|
1.157 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.205 |
2 |
3 |
|
|
1.159 |
4 |
6 |
|
|
1.159 |
5 |
7 |
C5H9NO2 |
Proline |
1.453 |
1 |
5 |
|
|
1.461 |
4 |
5 |