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3,5-Dibromopyridine-N-oxide
3,5-Dibromopyridine-N-oxide ID: API-45672
CAS:2402-99-5
Supplier:APIchem

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SMILES:Brc1c[n+]([O-])cc(Br)c1	ChemMol.com
FORMULA: C5H3Br2NO
MASS: 252.8914
EXACT MASS: 250.8581377
INTERATOMIC DISTANCES

             Br   1     Br   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Br   2    3.4641     0.0000 
   O   3    3.4641     3.4641     0.0000 
   N   4    2.6458     2.6457     1.0000     0.0000 
   C   5    1.7320     3.0000     1.7321     1.0001     0.0000 
   C   6    1.0000     2.6458     2.6458     1.7321     1.0000     0.0000 
   C   7    3.0000     1.7320     1.7320     1.0000     1.7321     2.0000 
   C   8    1.7321     1.7320     3.0000     2.0000     1.7321     1.0001 
   C   9    2.6458     1.0000     2.6457     1.7320     2.0000     1.7321 
   H  10    1.8397     3.6200     1.8397     1.4158     0.6200     1.4158 
   H  11    3.6200     1.8397     1.8396     1.4157     2.2901     2.6200 
   H  12    1.8397     1.8396     3.6200     2.6200     2.2901     1.4158 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   H  10    2.2901     2.2901     2.6200     0.0000 
   H  11    0.6200     2.2900     1.4158     2.8059     0.0000 
   H  12    2.2901     0.6200     1.4158     2.8059     2.8059     0.0000 




ATOMIC CHARGES
  Br   1   -0.0440996291
  Br   2   -0.0440996291
   O   3   -0.6197270615
   N   4   -0.1753326755
   C   5    0.1968110238
   C   6    0.0836595036
   C   7    0.1968110238
   C   8   -0.0222639786
   C   9    0.0836595036
   H  10    0.1401200730
   H  11    0.1401200730
   H  12    0.0643417732


BOND ANGLES
   3    4    5   O-  Nar  Car    119.998
   3    4    7   O-  Nar  Car    120.001
   5    4    7  Car  Nar  Car    120.001
   4    5    6  Nar  Car  Car    119.998
   4    5   10  Nar  Car   HC    120.000
   6    5   10  Car  Car   HC    120.002
   1    6    5   Br  Car  Car    120.001
   1    6    8   Br  Car  Car    120.001
   5    6    8  Car  Car  Car    119.998
   4    7    9  Nar  Car  Car    120.001
   4    7   11  Nar  Car   HC    119.998
   9    7   11  Car  Car   HC    120.002
   6    8    9  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    119.998
   9    8   12  Car  Car   HC    120.001
   2    9    7   Br  Car  Car    120.001
   2    9    8   Br  Car  Car    119.999
   7    9    8  Car  Car  Car    120.001


TORSION ANGLES
   3    4    5    6    179.974
   3    4    5   10      0.026
   7    4    5    6      0.026
   7    4    5   10    179.974
   3    4    7    9    179.974
   3    4    7   11      0.026
   5    4    7    9      0.026
   5    4    7   11    179.974
   4    5    6    1    179.974
   4    5    6    8      0.026
  10    5    6    1      0.026
  10    5    6    8    179.974
   1    6    8    9    179.974
   1    6    8   12      0.026
   5    6    8    9      0.026
   5    6    8   12    179.974
   4    7    9    2    179.974
   4    7    9    8      0.026
  11    7    9    2      0.026
  11    7    9    8    179.974
   6    8    9    2    179.974
   6    8    9    7      0.026
  12    8    9    2      0.026
  12    8    9    7    179.974