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(1H-tetrazol-5-ylmethyl)amine
(1H-tetrazol-5-ylmethyl)amine
ID: BP-11216
CAS:31602-63-8
Supplier:BroadPharm

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SMILES:n1nc([nH]n1)CN	
FORMULA: C2H5N5
MASS: 99.0946
EXACT MASS: 99.0544952
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2509     0.0000 
   N   3    1.2507     2.0237     0.0000 
   C   4    2.0226     1.2515     2.0209     0.0000 
   N   5    2.0239     2.0218     1.2528     1.2442     0.0000 
   C   6    3.2348     2.2278     3.2337     1.2507     2.2224     0.0000 
   N   7    4.1709     3.3519     3.8309     2.1708     2.6118     1.2543 

              N   7
              -----------
   N   7    0.0000 



ATOMIC CHARGES
   N   1   -0.2182541282
   N   2   -0.2922511043
   N   3   -0.2182541282
   C   4    0.0405959861
   N   5   -0.2922511043
   C   6    0.1148641683
   N   7   -0.1344496894


BOND ANGLES
   2    1    3  Nar  Nar  Nar    107.989
   1    2    4  Nar  Nar  Car    107.854
   1    3    5  Nar  Nar  Nar    107.888
   2    4    6  Nar  Car   C3    125.843
   2    4    5  Nar  Car  Nar    108.215
   5    4    6  Nar  Car   C3    125.943
   3    5    4  Nar  Nar  Car    108.055
   4    6    7  Car   C3   N3    120.131


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