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Betahistine Dihydrochloride:
Betahistine Dihydrochloride: ID: B184451
CAS:5579-84-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(CCNC)cccc1.Cl.Cl	
FORMULA: C8H14Cl2N2
MASS: 209.1162
EXACT MASS: 208.0534038
INTERATOMIC DISTANCES

              N   1      C   2      N   3     Cl   4     Cl   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7463     0.0000 
   N   3    2.5833     1.9678     0.0000 
  Cl   4    4.3760     3.6546     2.0201     0.0000 
  Cl   5    4.1444     3.3997     2.1457     0.7835     0.0000 
   C   6    1.2958     0.7426     1.2875     3.1500     3.0334     0.0000 
   C   7    0.7354     1.2875     3.2416     4.9169     4.5972     1.9678 
   C   8    1.9735     1.2875     0.7468     2.4160     2.2964     0.7432 
   C   9    3.2467     2.5750     0.7432     1.2836     1.5259     1.9653 
   C  10    1.2885     0.7458     2.2305     3.5594     3.1546     1.2864 
   C  11    1.2822     1.4879     3.4075     4.8466     4.4190     2.2305 
   C  12    1.4875     1.2956     2.9810     4.2181     3.7395     1.9728 
   H  13    3.6645     2.9334     1.4876     0.7458     0.6702     2.4768 
   H  14    3.4965     2.7507     1.8611     1.3677     0.7375     2.4824 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5750     0.0000 
   C   9    3.8625     1.2875     0.0000 
   C  10    1.4879     1.4838     2.6785     0.0000 
   C  11    0.7458     2.6785     3.9323     1.2875     0.0000 
   C  12    1.2894     2.2342     3.4115     0.7504     0.7396     0.0000 
   H  13    4.1838     1.7339     0.8585     2.8139     4.1009     3.4744 
   H  14    3.9042     1.7835     1.4611     2.4413     3.6928     3.0056 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    0.7784     0.0000 



ATOMIC CHARGES
   N   1   -0.2481032128
   C   2    0.0604536548
   N   3   -0.2161230721
  Cl   4   -0.1453996612
  Cl   5   -0.1453996612
   C   6    0.0645750339
   C   7    0.0984467710
   C   8    0.0950394458
   C   9    0.1074651705
   C  10    0.0147854432
   C  11    0.0206570615
   C  12    0.0028037042
   H  13    0.1453996612
   H  14    0.1453996612


BOND ANGLES
   2    1    7  Car  Nar  Car    120.662
   1    2    6  Nar  Car   C3    120.981
   1    2   10  Nar  Car  Car    119.430
   6    2   10   C3  Car  Car    119.589
   8    3    9   C3   N3   C3    119.556
   2    6    8  Car   C3   C3    120.110
   1    7   11  Nar  Car  Car    119.908
   3    8    6   N3   C3   C3    119.556
   2   10   12  Car  Car  Car    119.982
   7   11   12  Car  Car  Car    120.466
  10   12   11  Car  Car  Car    119.553


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