Sign In Join Free

Products Information

5,6-dichloropyrazine-2,3-dicarbonitrile
5,6-dichloropyrazine-2,3-dicarbonitrile ID: AN-40146
CAS:56413-95-7
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:Clc1nc(c(nc1Cl)C#N)C#N	607820
FORMULA: C6Cl2N4
MASS: 198.9970
EXACT MASS: 197.9500014
INTERATOMIC DISTANCES

             Cl   1     Cl   2      N   3      N   4      N   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    2.0000     0.0000 
   N   3    1.7320     2.6457     0.0000 
   N   4    2.6457     1.7320     2.0000     0.0000 
   N   5    4.3589     5.0000     2.6458     3.6056     0.0000 
   N   6    5.0000     4.3589     3.6056     2.6458     3.0000     0.0000 
   C   7    2.6458     3.0000     1.0001     1.7321     2.0000     2.6457 
   C   8    3.0000     2.6458     1.7321     1.0001     2.6457     2.0000 
   C   9    1.0000     1.7320     1.0000     1.7320     3.6055     4.0000 
   C  10    1.7320     1.0000     1.7320     1.0000     4.0000     3.6055 
   C  11    3.4641     4.0000     1.7321     2.6458     1.0000     2.6457 
   C  12    4.0000     3.4641     2.6458     1.7321     2.6457     1.0000 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.7321     2.0000     0.0000 
   C  10    2.0000     1.7321     1.0000     0.0000 
   C  11    1.0000     1.7320     2.6458     3.0000     0.0000 
   C  12    1.7320     1.0000     3.0000     2.6458     2.0000     0.0000 




ATOMIC CHARGES
  Cl   1   -0.0587694998
  Cl   2   -0.0587694998
   N   3   -0.2189453189
   N   4   -0.2189453189
   N   5   -0.1891863401
   N   6   -0.1891863401
   C   7    0.1774465938
   C   8    0.1774465938
   C   9    0.1673842702
   C  10    0.1673842702
   C  11    0.1220702948
   C  12    0.1220702948


BOND ANGLES
   7    3    9  Car  Nar  Car    120.001
   8    4   10  Car  Nar  Car    120.001
   3    7    8  Nar  Car  Car    119.998
   3    7   11  Nar  Car   C1    120.001
   8    7   11  Car  Car   C1    120.001
   4    8    7  Nar  Car  Car    119.998
   4    8   12  Nar  Car   C1    120.001
   7    8   12  Car  Car   C1    120.001
   1    9    3   Cl  Car  Nar    119.999
   1    9   10   Cl  Car  Car    120.001
   3    9   10  Nar  Car  Car    120.001
   2   10    4   Cl  Car  Nar    119.999
   2   10    9   Cl  Car  Car    120.001
   4   10    9  Nar  Car  Car    120.001
   5   11    7   N1   C1  Car    179.974
   6   12    8   N1   C1  Car    179.974


TORSION ANGLES
   9    3    7    8      0.026
   9    3    7   11    179.974
   7    3    9    1    179.974
   7    3    9   10      0.026
  10    4    8    7      0.026
  10    4    8   12    179.974
   8    4   10    2    179.974
   8    4   10    9      0.026
   3    7    8    4      0.026
   3    7    8   12    179.974
  11    7    8    4    179.974
  11    7    8   12      0.026
   3    7   11    5    180.000
   8    7   11    5    180.000
   4    8   12    6    180.000
   7    8   12    6    180.000
   1    9   10    2      0.026
   1    9   10    4    179.974
   3    9   10    2    179.974
   3    9   10    4      0.026