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3-(AMINOMETHYL)BENZAMIDE
3-(AMINOMETHYL)BENZAMIDE
ID: BP-12183
CAS:102562-86-7
Supplier:BroadPharm

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SMILES:c1(C(=O)N)cc(CN)ccc1	
FORMULA: C8H10N2O
MASS: 150.1778
EXACT MASS: 150.0793130
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    0.8268     1.4300     0.0000 
   C   4    1.4336     2.1874     0.8292     0.0000 
   C   5    2.1888     2.8637     1.4337     0.8269     0.0000 
   N   6    2.8637     3.6017     2.1874     1.4301     0.8250     0.0000 
   C   7    1.6542     2.4792     1.4336     0.8268     1.4333     1.6538 
   C   8    1.4316     2.1861     1.6522     1.4291     2.1851     2.4771 
   C   9    0.8233     1.4280     1.4291     1.6522     2.4792     2.9792 
   O  10    1.4264     0.8248     2.1824     2.8601     3.6000     4.2901 
   N  11    1.4280     0.8233     1.6500     2.4792     2.9802     3.7859 

              C   7      C   8      C   9      O  10      N  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8233     0.0000 
   C   9    1.4316     0.8292     0.0000 
   O  10    2.9751     2.4750     1.6458     0.0000 
   N  11    2.9782     2.8596     2.1802     1.4292     0.0000 



ATOMIC CHARGES
   C   1    0.0563910234
   C   2    0.2841590560
   C   3    0.0017965766
   C   4   -0.0030406436
   C   5    0.1356212832
   N   6   -0.1262162441
   C   7   -0.0028178483
   C   8   -0.0001300848
   C   9    0.0045989341
   O  10   -0.2666668866
   N  11   -0.0836951659


BOND ANGLES
   2    1    3   C2  Car  Car    119.926
   2    1    9   C2  Car  Car    120.069
   3    1    9  Car  Car  Car    120.005
   1    2   10  Car   C2   O2    119.670
   1    2   11  Car   C2  Nam    120.069
  10    2   11   O2   C2  Nam    120.261
   1    3    4  Car  Car  Car    119.926
   3    4    5  Car  Car   C3    119.923
   3    4    7  Car  Car  Car    119.926
   5    4    7   C3  Car  Car    120.151
   4    5    6  Car   C3   N3    119.923
   4    7    8  Car  Car  Car    120.005
   7    8    9  Car  Car  Car    120.069
   1    9    8  Car  Car  Car    120.069


TORSION ANGLES
   3    1    2   10    179.974
   3    1    2   11      0.026
   9    1    2   10      0.026
   9    1    2   11    179.974
   4    3    1    2    179.974
   4    3    1    9      0.026
   5    4    3    1    179.974
   7    4    3    1      0.026
   6    5    4    3    179.974
   6    5    4    7      0.026
   3    4    7    8      0.026
   5    4    7    8    179.974
   4    7    8    9      0.026
   7    8    9    1      0.026
   8    9    1    2    179.974
   8    9    1    3      0.026