Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
NH- |
Imidogen anion |
1.058 |
1 |
2 |
NH |
Imidogen |
1.056 |
1 |
2 |
NH+ |
imidogen cation |
1.099 |
1 |
2 |
NH2- |
amino anion |
1.042 |
1 |
2 |
|
|
1.042 |
1 |
3 |
NH2 |
Amino radical |
1.038 |
1 |
2 |
|
|
1.038 |
1 |
3 |
ND2 |
Amidogen-d2 |
1.038 |
1 |
2 |
|
|
1.038 |
1 |
3 |
NH3 |
Ammonia |
1.019 |
1 |
2 |
|
|
1.019 |
1 |
3 |
|
|
1.019 |
1 |
4 |
NH3+ |
ammonia cation |
1.037 |
1 |
2 |
|
|
1.037 |
1 |
3 |
|
|
1.037 |
1 |
4 |
ND3 |
Ammonia-d3 |
1.019 |
1 |
2 |
|
|
1.019 |
1 |
3 |
|
|
1.019 |
1 |
4 |
NH4+ |
ammonium cation |
1.034 |
1 |
2 |
|
|
1.034 |
1 |
3 |
|
|
1.034 |
1 |
4 |
|
|
1.034 |
1 |
5 |
HNC |
hydrogen isocyanide |
1.008 |
2 |
3 |
NNH |
Dinitrogen monohydride |
1.079 |
2 |
3 |
NNH+ |
Dinitrogen monohydride cation |
1.051 |
2 |
3 |
HNB |
hydrogen nitrogen boron |
1.003 |
1 |
3 |
HNO- |
Nitrosyl hydride anion |
1.088 |
1 |
2 |
HNO |
Nitrosyl hydride |
1.085 |
1 |
2 |
HNO+ |
Nitrosyl hydride cation |
1.093 |
1 |
2 |
HNS- |
Sulfur imide anion |
1.039 |
2 |
3 |
CNH2+ |
N-protonated hydrogen isocyanide |
1.051 |
2 |
3 |
|
|
1.051 |
2 |
4 |
N2H2 |
(E)-diazene |
1.046 |
1 |
3 |
|
|
1.046 |
2 |
4 |
NH2F |
monofluoroamine |
1.031 |
1 |
3 |
|
|
1.031 |
1 |
4 |
NH2Cl |
chloramine |
1.026 |
1 |
3 |
|
|
1.026 |
1 |
4 |
CH2NH |
Methanimine |
1.031 |
2 |
5 |
NH2OH |
hydroxylamine |
1.026 |
1 |
4 |
|
|
1.026 |
1 |
5 |
N2H4 |
Hydrazine |
1.023 |
1 |
3 |
|
|
1.019 |
1 |
5 |
|
|
1.023 |
2 |
4 |
|
|
1.019 |
2 |
6 |
N2H4+ |
hydrazine cation |
1.024 |
1 |
3 |
|
|
1.024 |
1 |
5 |
|
|
1.024 |
2 |
4 |
|
|
1.024 |
2 |
6 |
CH2NH2+ |
methyleneamine cation |
1.030 |
2 |
5 |
|
|
1.030 |
2 |
6 |
CH3NH2 |
methyl amine |
1.020 |
2 |
6 |
|
|
1.020 |
2 |
7 |
CH3NH2+ |
methyl amine cation |
1.030 |
2 |
6 |
|
|
1.030 |
2 |
7 |
H2ONH3 |
Water Ammonia Dimer |
1.760 |
1 |
3 |
|
|
1.021 |
3 |
5 |
|
|
1.022 |
3 |
6 |
|
|
1.022 |
3 |
7 |
NH3NH3 |
Ammonia Dimer |
1.028 |
1 |
2 |
|
|
1.028 |
3 |
6 |
|
|
1.020 |
2 |
4 |
|
|
1.020 |
2 |
5 |
BH3NH3 |
borane ammonia |
1.026 |
2 |
6 |
|
|
1.026 |
2 |
7 |
|
|
1.026 |
2 |
8 |
CH3NH3 |
methyl ammonium radical |
1.061 |
2 |
6 |
|
|
1.341 |
2 |
7 |
|
|
0.949 |
2 |
8 |
CH3NH3+ |
protonated methylamine |
1.034 |
2 |
6 |
|
|
1.034 |
2 |
7 |
|
|
1.034 |
2 |
8 |
HN3 |
hydrogen azide |
1.025 |
1 |
4 |
HNCO |
Isocyanic acid |
1.010 |
1 |
2 |
HNCNH |
diiminomethane |
1.016 |
2 |
4 |
|
|
1.016 |
3 |
5 |
NH2CN |
cyanamide |
1.016 |
3 |
4 |
|
|
1.016 |
3 |
5 |
CHNHCH |
1H-Azirine |
1.035 |
1 |
4 |
CHONH2 |
formamide |
1.018 |
3 |
5 |
|
|
1.015 |
3 |
6 |
NHCHNH2 |
aminomethanimine |
1.011 |
2 |
5 |
|
|
1.017 |
2 |
6 |
|
|
1.022 |
3 |
7 |
C2H5N |
Aziridine |
1.023 |
1 |
2 |
CH2CHNH2 |
aminoethene |
1.016 |
3 |
7 |
|
|
1.013 |
3 |
8 |
CH3CHNH |
ethanimine |
1.030 |
3 |
8 |
CH3CH2NH2 |
Ethylamine |
1.022 |
1 |
9 |
|
|
1.022 |
1 |
10 |
CH3NHCH3 |
Dimethylamine |
1.020 |
1 |
2 |
NH2CONH2 |
Urea |
1.015 |
3 |
5 |
|
|
1.016 |
3 |
6 |
|
|
1.015 |
4 |
7 |
|
|
1.016 |
4 |
8 |
NH2CONH2+ |
Urea cation |
1.019 |
3 |
5 |
|
|
1.015 |
3 |
6 |
|
|
1.019 |
4 |
7 |
|
|
1.015 |
4 |
8 |
NH2CSNH2 |
Thiourea |
1.015 |
3 |
5 |
|
|
1.017 |
3 |
6 |
|
|
1.015 |
4 |
7 |
|
|
1.017 |
4 |
8 |
CH5N3 |
Guanidine |
1.025 |
2 |
5 |
|
|
1.015 |
3 |
6 |
|
|
1.018 |
3 |
7 |
|
|
1.018 |
4 |
8 |
|
|
1.018 |
4 |
9 |
CH3CONH2 |
Acetamide |
1.017 |
3 |
8 |
|
|
1.014 |
3 |
9 |
HCONHCH3 |
N-methylformamide |
1.016 |
3 |
6 |
C3H7N |
Cyclopropylamine |
1.021 |
3 |
6 |
|
|
1.021 |
3 |
7 |
HOCH2CH2NH2 |
monoethanolamine |
1.022 |
1 |
5 |
|
|
1.018 |
1 |
6 |
C2H8N2 |
Ethylenediamine |
1.022 |
3 |
7 |
|
|
1.022 |
3 |
8 |
|
|
1.022 |
4 |
5 |
|
|
1.022 |
4 |
6 |
CH3NHNHCH3 |
dimethyl hydrazine |
1.021 |
1 |
5 |
|
|
1.021 |
2 |
6 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.022 |
2 |
6 |
|
|
1.022 |
2 |
7 |
NH2CH2CH2CH3 |
1-Propanamine |
1.022 |
4 |
12 |
|
|
1.022 |
4 |
13 |
CH2N4 |
1H-Tetrazole |
3.218 |
2 |
7 |
C3H4N2 |
1H-Pyrazole |
0.987 |
8 |
9 |
C3H4N2 |
1H-Imidazole |
2.105 |
1 |
6 |
C4H5N |
Pyrrole |
1.004 |
1 |
2 |
H2NCH2COOH |
Glycine |
1.022 |
5 |
9 |
|
|
1.022 |
5 |
10 |
CH2CHCONH2 |
Acrylamide |
1.016 |
3 |
7 |
|
|
1.015 |
3 |
8 |
CH5N3S |
Hydrazinecarbothioamide |
1.025 |
1 |
2 |
|
|
1.028 |
5 |
7 |
|
|
1.025 |
6 |
7 |
|
|
1.025 |
8 |
10 |
|
|
1.021 |
9 |
10 |
C3H6N2 |
3-Aminopropionitrile |
1.020 |
1 |
3 |
|
|
1.020 |
2 |
3 |
C2H6N2O |
Urea, methyl- |
1.023 |
5 |
6 |
|
|
1.026 |
8 |
10 |
|
|
1.023 |
9 |
10 |
C3H7NO |
Propanamide |
2.490 |
1 |
3 |
|
|
1.506 |
2 |
3 |
C4H9N |
Pyrrolidine |
1.020 |
1 |
2 |
C4H9N |
Cyclobutylamine |
1.030 |
1 |
2 |
|
|
1.030 |
1 |
3 |
C3H10N2 |
1,2-Diaminopropane |
1.025 |
1 |
2 |
|
|
1.023 |
1 |
3 |
|
|
1.024 |
4 |
5 |
|
|
1.025 |
4 |
6 |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
1.024 |
2 |
6 |
|
|
1.024 |
2 |
7 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
1.023 |
1 |
2 |
|
|
1.023 |
1 |
3 |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
1.022 |
1 |
6 |
|
|
1.022 |
1 |
7 |
NH(C2H5)2 |
diethylamine |
1.025 |
1 |
6 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.024 |
1 |
2 |
|
|
1.024 |
1 |
3 |
CH3N5 |
5-Aminotetrazole |
0.998 |
2 |
3 |
|
|
1.024 |
7 |
9 |
|
|
1.024 |
8 |
9 |
C2H3NO3 |
Oxamic acid |
1.015 |
6 |
7 |
|
|
1.018 |
6 |
8 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.017 |
7 |
10 |
C2H4N2O2 |
Oxalamide |
1.015 |
5 |
7 |
|
|
1.023 |
5 |
8 |
|
|
1.015 |
6 |
9 |
|
|
1.023 |
6 |
10 |
C2H4N2S2 |
Ethanedithioamide |
1.036 |
5 |
7 |
|
|
1.016 |
5 |
8 |
|
|
1.036 |
6 |
9 |
|
|
1.016 |
6 |
10 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
0.990 |
5 |
6 |
B3N3H6 |
borazine |
1.017 |
1 |
7 |
|
|
1.017 |
2 |
8 |
|
|
1.017 |
3 |
9 |
CH6N4S |
Carbonothioic dihydrazide |
1.030 |
3 |
11 |
|
|
1.019 |
4 |
9 |
|
|
1.019 |
4 |
10 |
|
|
1.022 |
5 |
12 |
|
|
1.023 |
6 |
7 |
|
|
1.023 |
6 |
8 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
1.090 |
1 |
2 |
|
|
1.634 |
1 |
3 |
|
|
1.016 |
2 |
9 |
|
|
1.020 |
3 |
11 |
|
|
1.060 |
7 |
8 |
|
|
1.013 |
7 |
13 |
NH2COOC2H5 |
Urethane |
1.025 |
9 |
10 |
|
|
1.021 |
9 |
11 |
CH3CH(NH2)COOH |
Alanine |
1.023 |
1 |
7 |
|
|
1.020 |
1 |
8 |
NH2CH2CH2COOH |
β–alanine |
1.020 |
1 |
7 |
|
|
1.022 |
1 |
8 |
CH3NHCH2COOH |
Sarcosine |
1.022 |
1 |
7 |
C4H7NO |
2-Pyrrolidinone |
1.017 |
1 |
7 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.016 |
3 |
7 |
|
|
1.016 |
4 |
8 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.015 |
1 |
6 |
|
|
1.016 |
5 |
6 |
NH2CONHC2H5 |
Urea, ethyl- |
1.024 |
8 |
9 |
|
|
1.022 |
10 |
11 |
|
|
1.026 |
10 |
12 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.021 |
14 |
15 |
C4H9NO |
Butanamide |
1.025 |
11 |
12 |
|
|
1.026 |
11 |
13 |
C4H9NO |
Propanamide, 2-methyl- |
1.017 |
10 |
11 |
|
|
1.014 |
10 |
12 |
C5H11N |
Piperidine |
1.020 |
8 |
9 |
C5H11N |
Cyclopentanamine |
1.024 |
1 |
4 |
|
|
1.024 |
1 |
5 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.021 |
4 |
5 |
|
|
1.021 |
4 |
6 |
|
|
1.026 |
7 |
8 |
|
|
1.026 |
7 |
9 |
C4H12N2 |
1,2-Butanediamine |
1.025 |
1 |
2 |
|
|
1.023 |
1 |
3 |
|
|
1.025 |
8 |
9 |
|
|
1.023 |
8 |
10 |
C5H5NO |
4(1H)-Pryidinone |
1.015 |
1 |
12 |
C5H5NO |
2(1H)-Pyridinone |
1.020 |
1 |
12 |
C6H5NH2 |
aniline |
1.018 |
7 |
13 |
|
|
1.018 |
7 |
14 |
HO2CCHNH2CH2OH |
Serine |
1.020 |
7 |
13 |
|
|
1.022 |
7 |
14 |
C6H13N |
2-Methylpiperidine |
1.024 |
5 |
15 |
C4H4N2O2 |
Uracil |
1.019 |
3 |
10 |
|
|
1.016 |
6 |
12 |
C5H9NO2 |
Proline |
1.021 |
5 |
16 |
C3H3N3O3 |
cyanuric acid |
1.021 |
4 |
10 |
|
|
1.021 |
5 |
11 |
|
|
1.021 |
6 |
12 |
C5H4N4 |
purine |
1.016 |
9 |
13 |
C8H7N |
Indole |
1.014 |
1 |
10 |