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N-Hydroxy-benzamidine
N-Hydroxy-benzamidine
ID: BP-11260
CAS:613-92-3
Supplier:BroadPharm

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SMILES:C(=N)(c1ccccc1)NO	
FORMULA: C7H8N2O
MASS: 136.1512
EXACT MASS: 136.0636629
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2471     0.0000 
   C   3    1.2500     2.1634     0.0000 
   N   4    1.2507     2.1625     2.1654     0.0000 
   O   5    2.1708     3.3096     2.5050     1.2543     0.0000 
   C   6    2.1654     3.3055     1.2507     2.5000     2.1676     0.0000 
   C   7    2.1634     2.5000     1.2471     3.3055     3.7521     2.1625 
   C   8    3.3061     3.7500     2.1634     4.3288     4.5087     2.4978 
   C   9    3.3074     4.3288     2.1654     3.7500     3.3088     1.2500 
   C  10    3.7500     4.5061     2.5000     4.5071     4.3330     2.1654 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.2500     0.0000 
   C   9    2.4978     2.1625     0.0000 
   C  10    2.1634     1.2471     1.2507     0.0000 



ATOMIC CHARGES
   C   1    0.4617321240
   N   2    0.2031362884
   C   3    0.0959998932
   N   4    0.1526933906
   O   5    0.0700408657
   C   6    0.0079408905
   C   7    0.0079408905
   C   8    0.0002546373
   C   9    0.0002546373
   C  10    0.0000063826


BOND ANGLES
   2    1    3   N2   C2  Car    120.077
   2    1    4   N2   C2  Nox    119.941
   3    1    4  Car   C2  Nox    119.982
   1    3    6   C2  Car  Car    119.982
   1    3    7   C2  Car  Car    120.077
   6    3    7  Car  Car  Car    119.941
   1    4    5   C2  Nox   O3    120.131
   3    6    9  Car  Car  Car    119.982
   3    7    8  Car  Car  Car    120.077
   7    8   10  Car  Car  Car    120.077
   6    9   10  Car  Car  Car    119.982
   8   10    9  Car  Car  Car    119.941


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