Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
NH- |
Imidogen anion |
1.074 |
1 |
2 |
NH |
Imidogen |
1.060 |
1 |
2 |
NH+ |
imidogen cation |
1.095 |
1 |
2 |
NH2- |
amino anion |
1.055 |
1 |
2 |
|
|
1.055 |
1 |
3 |
NH2 |
Amino radical |
1.043 |
1 |
2 |
|
|
1.043 |
1 |
3 |
NH2+ |
Amino cation |
1.050 |
1 |
2 |
|
|
1.050 |
1 |
3 |
ND2 |
Amidogen-d2 |
1.043 |
1 |
2 |
|
|
1.043 |
1 |
3 |
NH3- |
Ammonia anion |
1.097 |
1 |
2 |
|
|
1.097 |
1 |
3 |
|
|
1.097 |
1 |
4 |
NH3 |
Ammonia |
1.025 |
1 |
2 |
|
|
1.025 |
1 |
3 |
|
|
1.025 |
1 |
4 |
NH3+ |
ammonia cation |
1.039 |
1 |
2 |
|
|
1.039 |
1 |
3 |
|
|
1.039 |
1 |
4 |
ND3 |
Ammonia-d3 |
1.025 |
1 |
2 |
|
|
1.025 |
1 |
3 |
|
|
1.025 |
1 |
4 |
NH4+ |
ammonium cation |
1.038 |
1 |
2 |
|
|
1.038 |
1 |
3 |
|
|
1.038 |
1 |
4 |
|
|
1.038 |
1 |
5 |
HNC |
hydrogen isocyanide |
1.010 |
2 |
3 |
NNH |
Dinitrogen monohydride |
1.079 |
2 |
3 |
NNH+ |
Dinitrogen monohydride cation |
1.052 |
2 |
3 |
HNB |
hydrogen nitrogen boron |
1.005 |
1 |
3 |
HNO |
Nitrosyl hydride |
1.091 |
1 |
2 |
HNO+ |
Nitrosyl hydride cation |
1.090 |
1 |
2 |
HNS- |
Sulfur imide anion |
1.047 |
2 |
3 |
CNH2 |
Aminomethylidyne radical |
1.043 |
2 |
3 |
|
|
1.043 |
2 |
4 |
CNH2+ |
N-protonated hydrogen isocyanide |
1.052 |
2 |
3 |
|
|
1.052 |
2 |
4 |
HBNH |
Boranimine |
1.004 |
2 |
4 |
N2H2 |
(Z)-Diazene |
1.059 |
1 |
3 |
|
|
1.059 |
2 |
4 |
N2H2 |
(E)-diazene |
1.051 |
1 |
3 |
|
|
1.051 |
2 |
4 |
N2H2+ |
trans-diazene cation |
1.057 |
1 |
3 |
|
|
1.057 |
2 |
4 |
HCNH |
methyleneazane |
1.034 |
2 |
4 |
HCNH+ |
N-protonated HCN |
1.028 |
2 |
4 |
H2NO |
nitroxide |
1.034 |
1 |
3 |
|
|
1.034 |
1 |
4 |
NH2F |
monofluoroamine |
1.035 |
1 |
3 |
|
|
1.035 |
1 |
4 |
CH2NH |
Methanimine |
1.035 |
2 |
5 |
NH2OH |
hydroxylamine |
1.031 |
1 |
4 |
|
|
1.031 |
1 |
5 |
NH3O |
Ammonia Oxide |
1.071 |
1 |
3 |
|
|
1.071 |
1 |
4 |
|
|
1.071 |
1 |
5 |
N2H4+ |
hydrazine cation |
1.026 |
1 |
3 |
|
|
1.026 |
2 |
4 |
|
|
1.026 |
1 |
5 |
|
|
1.026 |
2 |
6 |
CH2NH2+ |
methyleneamine cation |
1.033 |
2 |
5 |
|
|
1.033 |
2 |
6 |
CH3NH2+ |
methyl amine cation |
1.033 |
2 |
6 |
|
|
1.033 |
2 |
7 |
N2H5+ |
protonated hydrazine |
1.048 |
1 |
3 |
|
|
1.040 |
1 |
4 |
|
|
1.040 |
1 |
5 |
|
|
1.028 |
2 |
6 |
|
|
1.028 |
2 |
7 |
NH3NH3 |
Ammonia Dimer |
1.033 |
1 |
2 |
|
|
1.033 |
3 |
6 |
|
|
1.025 |
2 |
4 |
|
|
1.025 |
2 |
5 |
BH3NH3 |
borane ammonia |
1.029 |
2 |
6 |
|
|
1.029 |
2 |
7 |
|
|
1.029 |
2 |
8 |
CH3NH3 |
methyl ammonium radical |
1.104 |
2 |
6 |
|
|
1.104 |
2 |
7 |
|
|
1.104 |
2 |
8 |
CH3NH3+ |
protonated methylamine |
1.038 |
2 |
6 |
|
|
1.038 |
2 |
7 |
|
|
1.038 |
2 |
8 |
HN3 |
hydrogen azide |
1.028 |
1 |
4 |
HNNO+ |
Nitrous oxide, N-protonated |
1.041 |
1 |
4 |
HNCNH |
diiminomethane |
1.021 |
2 |
4 |
|
|
1.021 |
3 |
5 |
NH2CN |
cyanamide |
1.021 |
3 |
4 |
|
|
1.021 |
3 |
5 |
NH2NO |
Nitrosamide |
1.032 |
3 |
4 |
|
|
1.020 |
3 |
5 |
CHNHCH |
1H-Azirine |
1.042 |
1 |
4 |
NCNH3+ |
Cyanamide, protonated |
1.048 |
3 |
4 |
|
|
1.048 |
3 |
5 |
|
|
1.048 |
3 |
6 |
HNCNH2+ |
diiminomethane, protonated |
1.023 |
2 |
4 |
|
|
1.030 |
3 |
5 |
|
|
1.030 |
3 |
6 |
H2CCNH |
Ethenimine |
1.031 |
3 |
6 |
HCCNH2 |
Ethynamine |
1.022 |
3 |
5 |
|
|
1.022 |
3 |
6 |
CHONH2 |
formamide |
1.020 |
3 |
5 |
|
|
1.018 |
3 |
6 |
CNOH3 |
1,2-oxaziridine |
1.040 |
2 |
6 |
HOCHNH |
hydroxymethylimine |
1.027 |
3 |
6 |
CH2CHNH |
vinylazine |
1.040 |
3 |
7 |
H2CONH2+ |
protonated formamide |
1.028 |
3 |
5 |
|
|
1.027 |
3 |
6 |
CH2CHNH2 |
aminoethene |
1.021 |
3 |
7 |
|
|
1.019 |
3 |
8 |
CH3CHNH |
ethanimine |
1.034 |
3 |
8 |
NH2CH2NH2 |
diaminomethane |
1.027 |
2 |
6 |
|
|
1.027 |
2 |
7 |
|
|
1.027 |
3 |
8 |
|
|
1.027 |
3 |
9 |
C2H5NH+ |
Protonated Aziridine |
1.481 |
1 |
4 |
|
|
1.481 |
1 |
5 |
C2H6N+ |
aziridine, protonated |
1.031 |
1 |
4 |
|
|
1.031 |
1 |
5 |
(CH3)2NH2+ |
dimethylammonium cation |
1.037 |
1 |
4 |
|
|
1.037 |
1 |
5 |
CH3CH2NH3+ |
ethylamine, protonated |
1.037 |
1 |
4 |
|
|
1.038 |
1 |
5 |
|
|
1.038 |
1 |
6 |
NF3H+ |
protonated nitrogen trifluoride |
1.318 |
1 |
5 |
NH2NO2 |
nitramide |
1.022 |
1 |
5 |
|
|
1.022 |
1 |
6 |
NH2COOH |
Carbamic acid |
1.015 |
3 |
5 |
|
|
1.016 |
3 |
6 |
NH2CH2CN |
Aminoacetonitrile |
1.025 |
1 |
5 |
|
|
1.025 |
1 |
6 |
NH2CCNH2 |
Diaminoacetylene |
1.022 |
3 |
5 |
|
|
1.022 |
3 |
6 |
|
|
1.022 |
4 |
7 |
|
|
1.022 |
4 |
8 |
CH3NHN2+ |
methyl azide, protonated |
1.031 |
2 |
8 |
NH2CONH2 |
Urea |
1.019 |
3 |
5 |
|
|
1.020 |
3 |
6 |
|
|
1.019 |
4 |
7 |
|
|
1.020 |
4 |
8 |
NH3COOH+ |
protonated Carbamic acid |
1.039 |
3 |
5 |
|
|
1.040 |
3 |
6 |
|
|
1.040 |
3 |
8 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.022 |
3 |
5 |
|
|
1.026 |
3 |
6 |
CH5N3 |
Guanidine |
1.029 |
2 |
5 |
|
|
1.020 |
3 |
6 |
|
|
1.022 |
3 |
7 |
|
|
1.022 |
4 |
8 |
|
|
1.022 |
4 |
9 |
HCONHCH3 |
N-methylformamide |
1.019 |
3 |
6 |
CH5N2O+ |
urea, N-protonated |
1.040 |
3 |
5 |
|
|
1.039 |
3 |
6 |
|
|
1.025 |
4 |
7 |
|
|
1.021 |
4 |
8 |
|
|
1.039 |
3 |
9 |
H2NCOHNH2+ |
urea, protonated |
1.021 |
3 |
6 |
|
|
1.022 |
3 |
7 |
|
|
1.023 |
4 |
8 |
|
|
1.020 |
4 |
9 |
CH6N3+ |
guanidinium |
1.020 |
2 |
5 |
|
|
1.020 |
2 |
6 |
|
|
1.020 |
3 |
7 |
|
|
1.020 |
3 |
8 |
|
|
1.020 |
4 |
9 |
|
|
1.020 |
4 |
10 |
C3H7N |
Cyclopropylamine |
1.026 |
3 |
6 |
|
|
1.026 |
3 |
7 |
CH7N3 |
triaminomethane |
1.029 |
3 |
6 |
|
|
1.029 |
4 |
7 |
|
|
1.029 |
5 |
8 |
|
|
1.031 |
3 |
9 |
|
|
1.031 |
4 |
10 |
|
|
1.031 |
5 |
11 |
HOCH2CH2NH2 |
monoethanolamine |
1.026 |
1 |
5 |
|
|
1.023 |
1 |
6 |
CH3NHNHCH3 |
dimethyl hydrazine |
1.026 |
1 |
5 |
|
|
1.026 |
2 |
6 |
NH2CH2CH2CH3 |
1-Propanamine |
1.027 |
4 |
12 |
|
|
1.027 |
4 |
13 |
C3H7NH3+ |
n-propylamine, protonated |
1.038 |
4 |
12 |
|
|
1.038 |
4 |
13 |
|
|
1.037 |
4 |
14 |
(CH3)3NH+ |
protonated trimethyl amine |
1.481 |
1 |
5 |
CH2N4 |
1H-Tetrazole |
1.020 |
2 |
7 |
NH3BF3 |
Amminetrifluoroboron |
1.028 |
1 |
6 |
|
|
1.028 |
1 |
7 |
|
|
1.028 |
1 |
8 |
C3H4N2 |
1H-Imidazole |
1.019 |
1 |
6 |
CH3SO2NH2 |
methanesulfonamide |
1.026 |
3 |
9 |
|
|
1.026 |
3 |
10 |
C4H6N+ |
pyrrole, protonated |
1.043 |
1 |
6 |
|
|
1.043 |
1 |
7 |
C4H6N+ |
pyrrole, beta-protonated |
1.029 |
1 |
6 |
C4H6N+ |
pyrrole, alpha-protonated |
1.025 |
1 |
6 |
C2H6N2O |
Urea, methyl- |
1.017 |
5 |
6 |
|
|
1.021 |
8 |
10 |
|
|
1.019 |
9 |
10 |
C4H9N |
Cyclobutylamine |
1.027 |
1 |
2 |
|
|
1.027 |
1 |
3 |
NH(C2H5)2 |
diethylamine |
1.029 |
1 |
6 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.027 |
1 |
2 |
|
|
1.027 |
1 |
3 |
CH3N5 |
5-Aminotetrazole |
1.019 |
2 |
3 |
|
|
1.020 |
7 |
9 |
|
|
1.021 |
8 |
9 |
C2H3NO3 |
Oxamic acid |
1.018 |
6 |
7 |
|
|
1.024 |
6 |
8 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.021 |
7 |
10 |
C2H4N2O2 |
Oxalamide |
1.017 |
5 |
7 |
|
|
1.026 |
5 |
8 |
|
|
1.017 |
6 |
9 |
|
|
1.026 |
6 |
10 |
C2H4N2S2 |
Ethanedithioamide |
1.036 |
5 |
7 |
|
|
1.019 |
5 |
8 |
|
|
1.036 |
6 |
9 |
|
|
1.019 |
6 |
10 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.019 |
5 |
6 |
B3N3H6 |
borazine |
1.019 |
1 |
7 |
|
|
1.019 |
2 |
8 |
|
|
1.019 |
3 |
9 |
C5H6N+ |
Pyridinium |
1.028 |
1 |
7 |
CH6N4S |
Carbonothioic dihydrazide |
1.028 |
6 |
7 |
|
|
1.026 |
6 |
8 |
|
|
1.023 |
4 |
9 |
|
|
1.024 |
4 |
10 |
|
|
1.034 |
3 |
11 |
|
|
1.025 |
5 |
12 |
C4H7NO |
2-Pyrrolidinone |
1.020 |
1 |
7 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.019 |
3 |
7 |
|
|
1.019 |
4 |
8 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.020 |
1 |
6 |
|
|
1.021 |
5 |
6 |
NH2CONHC2H5 |
Urea, ethyl- |
1.020 |
8 |
9 |
|
|
1.019 |
10 |
11 |
|
|
1.021 |
10 |
12 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.028 |
14 |
15 |
C4H9NO |
Butanamide |
1.019 |
11 |
12 |
|
|
1.017 |
11 |
13 |
C4H9NO |
Propanamide, 2-methyl- |
1.019 |
10 |
11 |
|
|
1.017 |
10 |
12 |
C5H11N |
Cyclopentanamine |
1.027 |
1 |
4 |
|
|
1.027 |
1 |
5 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.027 |
4 |
5 |
|
|
1.027 |
4 |
6 |
|
|
1.030 |
7 |
8 |
|
|
1.030 |
7 |
9 |
C4H12N2 |
1,2-Butanediamine |
1.032 |
1 |
2 |
|
|
1.024 |
1 |
3 |
|
|
1.027 |
8 |
9 |
|
|
1.026 |
8 |
10 |
C5H5NO |
4(1H)-Pryidinone |
1.018 |
1 |
12 |
C5H5NO |
2(1H)-Pyridinone |
1.024 |
1 |
12 |
HO2CCHNH2CH2OH |
Serine |
1.023 |
7 |
13 |
|
|
1.024 |
7 |
14 |
C5H9NO2 |
Proline |
1.024 |
5 |
16 |
C3H3N3O3 |
cyanuric acid |
1.022 |
4 |
10 |
|
|
1.022 |
5 |
11 |
|
|
1.022 |
6 |
12 |
C5H4N4 |
purine |
1.018 |
9 |
13 |