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2-Amino-3,5-dibromopyrazine
2-Amino-3,5-dibromopyrazine ID: API-9445
CAS:24241-18-7
Supplier:APIchem

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SMILES:Brc1nc(Br)cnc1N	ChemMol.com
FORMULA: C4H3Br2N3
MASS: 252.8947
EXACT MASS: 250.8693711
INTERATOMIC DISTANCES

             Br   1     Br   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Br   2    3.4641     0.0000 
   N   3    2.6458     2.6457     0.0000 
   N   4    1.7321     1.7320     2.0000     0.0000 
   N   5    2.0000     4.0000     1.7321     2.6458     0.0000 
   C   6    1.7321     2.9999     1.0000     1.7320     1.0001     0.0000 
   C   7    1.0001     2.6457     1.7320     1.0000     1.7321     1.0000 
   C   8    3.0000     1.7320     1.0000     1.7320     2.6458     1.7320 
   C   9    2.6458     1.0000     1.7320     1.0000     3.0000     2.0000 
   H  10    3.6201     1.8397     1.4158     2.2901     3.1409     2.2901 
   H  11    2.6200     4.3433     1.8397     3.1408     0.6200     1.4158 
   H  12    1.7732     4.3433     2.2901     2.8292     0.6200     1.4158 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   H  10    2.6200     0.6201     1.4158     0.0000 
   H  11    2.2901     2.8292     3.3533     3.2380     0.0000 
   H  12    1.8397     3.1408     3.3533     3.6740     1.0739     0.0000 




ATOMIC CHARGES
  Br   1   -0.0250655545
  Br   2   -0.0270799884
   N   3   -0.2353722415
   N   4   -0.2282319628
   N   5   -0.3410355609
   C   6    0.1488971161
   C   7    0.1468216601
   C   8    0.0621120311
   C   9    0.1256682335
   H  10    0.0857225785
   H  11    0.1437818444
   H  12    0.1437818444


BOND ANGLES
   6    3    8  Car  Nar  Car    119.999
   7    4    9  Car  Nar  Car    119.999
   6    5   11  Car  Npl   HC    119.998
   6    5   12  Car  Npl   HC    120.000
  11    5   12   HC  Npl   HC    120.002
   3    6    5  Nar  Car  Npl    120.001
   3    6    7  Nar  Car  Car    120.001
   5    6    7  Npl  Car  Car    119.998
   1    7    4   Br  Car  Nar    120.001
   1    7    6   Br  Car  Car    119.998
   4    7    6  Nar  Car  Car    120.001
   3    8    9  Nar  Car  Car    120.001
   3    8   10  Nar  Car   HC    120.002
   9    8   10  Car  Car   HC    119.997
   2    9    4   Br  Car  Nar    119.999
   2    9    8   Br  Car  Car    120.001
   4    9    8  Nar  Car  Car    120.001


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