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2-Pyridylamidoxime
2-Pyridylamidoxime 
ID: BP-11688
CAS:1772-01-6
Supplier:BroadPharm

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SMILES:C(=N\O)(/c1ncccc1)\N	
FORMULA: C6H7N3O
MASS: 137.1393
EXACT MASS: 137.0589119
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6011     0.0000 
   C   3    0.6010     1.0417     0.0000 
   N   4    1.0398     1.2021     0.6000     0.0000 
   N   5    0.6000     1.0399     1.0398     1.5878     0.0000 
   O   6    1.0417     0.6010     1.5910     1.8032     1.2021     0.0000 
   C   7    1.5863     1.7996     1.0378     0.5975     2.0776     2.4006 
   C   8    1.0375     1.5870     0.5975     1.0378     1.1985     2.0792 
   C   9    1.7995     2.1640     1.1985     1.0375     2.1629     2.7514 
   C  10    1.5869     2.0792     1.0375     1.1985     1.7995     2.6173 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.2000     0.0000 
   C   9    0.6010     1.0398     0.0000 
   C  10    1.0398     0.6010     0.6000     0.0000 



ATOMIC CHARGES
   C   1    0.4806276372
   N   2    0.2176035156
   C   3    0.1758946598
   N   4   -0.2360354050
   N   5    0.2224869353
   O   6   -0.0109207756
   C   7    0.0991187908
   C   8    0.0271420214
   C   9    0.0206867729
   C  10    0.0033958476


BOND ANGLES
   2    1    3   N2   C2  Car    120.118
   2    1    5   N2   C2  Npl    119.939
   3    1    5  Car   C2  Npl    119.944
   1    2    6   C2   N2   O2    120.118
   1    3    4   C2  Car  Nar    119.944
   1    3    8   C2  Car  Car    119.917
   4    3    8  Nar  Car  Car    120.140
   3    4    7  Car  Nar  Car    120.140
   4    7    9  Nar  Car  Car    119.917
   3    8   10  Car  Car  Car    119.917
   7    9   10  Car  Car  Car    119.944
   8   10    9  Car  Car  Car    119.944


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