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4,5,6,7-TETRAHYDRO-1H-IMIDAZOL[4,5-C]-PYRIDINE DIHYDROCHLORIDE
4,5,6,7-TETRAHYDRO-1H-IMIDAZOL[4,5-C]-PYRIDINE DIHYDROCHLORIDE
ID: BP-11272
CAS:62002-31-7
Supplier:BroadPharm

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SMILES:c12nc[nH]c1CCNC2.Cl.Cl	
FORMULA: C6H11Cl2N3
MASS: 196.0776
EXACT MASS: 195.0330027
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      N   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.4548     0.0000 
   C   3    1.4750     2.3628     0.0000 
   C   4    2.3296     1.4289     2.3348     0.0000 
   N   5    2.3527     2.3375     1.4511     1.4323     0.0000 
   N   6    2.4628     3.8792     2.8514     4.7259     4.2768     0.0000 
   C   7    2.4978     3.7036     1.4266     3.7474     2.6505     2.4466 
   C   8    1.4306     2.6501     2.5050     3.7443     3.7006     1.4170 
  Cl   9    3.7564     3.0200     3.2284     1.5918     1.8021     5.9770 
  Cl  10    4.7628     6.1622     5.0007     7.0184     6.4517     2.3017 
   C  11    2.8451     4.2768     2.4630     4.7265     3.8792     1.3875 

              C   7      C   8     Cl   9     Cl  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.8583     0.0000 
  Cl   9    4.4409     5.1857     0.0000 
  Cl  10    4.1512     3.5714     8.2069     0.0000 
   C  11    1.4192     2.4429     5.6779     2.7323     0.0000 



ATOMIC CHARGES
   C   1    0.0918202277
   N   2   -0.2257524878
   C   3    0.0770895514
   C   4    0.1983287671
   N   5   -0.2271114240
   N   6   -0.2111904363
   C   7    0.0659212199
   C   8    0.1354104617
  Cl   9    0.0000000000
  Cl  10    0.0000000000
   C  11    0.0954841203


BOND ANGLES
   2    1    3  Nar  Car  Car    107.501
   2    1    8  Nar  Car   C3    133.397
   3    1    8  Car  Car   C3    119.102
   1    2    4  Car  Nar  Car    107.764
   1    3    5  Car  Car  Nar    107.030
   1    3    7  Car  Car   C3    118.811
   5    3    7  Nar  Car   C3    134.159
   2    4    5  Nar  Car  Nar    109.565
   3    5    4  Car  Nar  Car    108.140
   8    6   11   C3   N3   C3    121.165
   3    7   11  Car   C3   C3    119.879
   1    8    6  Car   C3   N3    119.733
   6   11    7   N3   C3   C3    121.310


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