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5-amino-1H-tetrazole-1-carboxamide
5-amino-1H-tetrazole-1-carboxamide
ID: BP-11993
Supplier:BroadPharm

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SMILES:n1(c(nnn1)N)C(=O)N	
FORMULA: C2H4N6O
MASS: 128.0928
EXACT MASS: 128.0446588
INTERATOMIC DISTANCES

              N   1      C   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    0.9692     0.5995     0.0000 
   N   4    0.9724     0.9724     0.5992     0.0000 
   N   5    0.6008     0.9726     0.9708     0.6026     0.0000 
   C   6    0.6010     1.1096     1.5658     1.5324     1.0237     0.0000 
   O   7    1.0778     1.6573     2.0236     1.8329     1.2388     0.6010 
   N   8    0.9509     0.5994     1.1504     1.5713     1.4864     1.1892 
   N   9    0.9500     1.1885     1.7643     1.9145     1.5138     0.5975 

              O   7      N   8      N   9
              ---------------------------------
   O   7    0.0000 
   N   8    1.7903     0.0000 
   N   9    1.0759     0.9510     0.0000 



ATOMIC CHARGES
   N   1   -0.1250120418
   C   2    0.2829070583
   N   3   -0.0884075912
   N   4   -0.0208153053
   N   5   -0.0337130780
   C   6    0.3785433085
   O   7   -0.2439650358
   N   8   -0.0845036981
   N   9   -0.0650336164


BOND ANGLES
   2    1    5  Car  Nar  Nar    108.185
   2    1    6  Car  Nar   C2    135.000
   5    1    6  Nar  Nar   C2    116.815
   1    2    3  Nar  Car  Nar    107.803
   1    2    8  Nar  Car  Npl    104.908
   3    2    8  Nar  Car  Npl    147.289
   2    3    4  Car  Nar  Nar    108.434
   3    4    5  Nar  Nar  Nar    107.762
   1    5    4  Nar  Nar  Nar    107.816
   1    6    7  Nar   C2   O2    127.428
   1    6    9  Nar   C2  Nam    104.860
   7    6    9   O2   C2  Nam    127.712


TORSION ANGLES
   3    2    1    5      0.026
   3    2    1    6    179.974
   8    2    1    5    179.974
   8    2    1    6      0.026
   4    3    2    1      0.026
   4    3    2    8    179.974
   3    4    5    1      0.026
   4    5    1    2      0.026
   4    5    1    6    179.974
   7    6    1    2    179.974
   7    6    1    5      0.026
   9    6    1    2      0.026
   9    6    1    5    179.974
   5    4    3    2      0.026