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4-amino-4H-1,2,4-triazole
4-amino-4H-1,2,4-triazole ID: B187194
CAS:584-13-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1(cnnc1)N	
FORMULA: C2H4N4
MASS: 84.0800
EXACT MASS: 84.0435961
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2125     0.0000 
   N   3    1.2135     0.7504     0.0000 
   C   4    0.7535     1.2147     0.7495     0.0000 
   C   5    0.7455     0.7543     1.2163     1.2156     0.0000 
   N   6    0.7504     1.9402     1.9409     1.3392     1.3314     0.0000 




ATOMIC CHARGES
   N   1   -0.1955487752
   N   2   -0.1239408858
   N   3   -0.1239408858
   C   4    0.2203509608
   C   5    0.2203509608
   N   6    0.0027286252


BOND ANGLES
   4    1    5  Car  Nar  Car    108.379
   4    1    6  Car  Nar   N3    125.865
   5    1    6  Car  Nar   N3    125.756
   3    2    5  Nar  Nar  Car    107.867
   2    3    4  Nar  Nar  Car    108.172
   1    4    3  Nar  Car  Nar    107.694
   1    5    2  Nar  Car  Nar    107.888


TORSION ANGLES
   3    2    5    1      0.026
   2    3    4    1      0.026
   3    4    1    5      0.026
   3    4    1    6    179.974
   2    5    1    4      0.026
   2    5    1    6    179.974
   4    3    2    5      0.026