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1-Butylpyridinium bromide
1-Butylpyridinium bromide ID: API-42714
CAS:874-80-6
Supplier:APIchem

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SMILES:[Br-].CCCC[n+]1ccccc1	ChemMol.com
FORMULA: C9H14BrN
MASS: 216.1182
EXACT MASS: 215.0309615
INTERATOMIC DISTANCES

             Br   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   C   2    3.2172     0.0000 
   C   3    3.5108     0.8250     0.0000 
   C   4    3.1425     1.4290     0.8250     0.0000 
   C   5    3.7271     2.1827     1.4289     0.8249     0.0000 
   N   6    3.6719     2.8579     2.1827     1.4289     0.8250     0.0000 
   C   7    4.4206     3.5961     2.8579     2.1827     1.4290     0.8250 
   C   8    4.6016     4.2868     3.5961     2.8579     2.1828     1.4290 
   C   9    4.0927     4.3655     3.7806     2.9746     2.4750     1.6500 
   C  10    3.2699     3.7806     3.3000     2.4750     2.1827     1.4289 
   C  11    3.0097     2.9746     2.4750     1.6500     1.4289     0.8249 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    1.4290     0.8250     0.0000 
   C  10    1.6500     1.4289     0.8249     0.0000 
   C  11    1.4289     1.6500     1.4289     0.8250     0.0000 



ATOMIC CHARGES
  Br   1    0.0000000000
   C   2    0.0002395385
   C   3    0.0072387577
   C   4    0.0852413180
   C   5    0.3223080250
   N   6   -0.1595626848
   C   7    0.2901147069
   C   8    0.0758331059
   C   9    0.0126394199
   C  10    0.0758331059
   C  11    0.2901147069


BOND ANGLES
   2    3    4   C3   C3   C3    119.999
   3    4    5   C3   C3   C3    120.002
   4    5    6   C3   C3  Nar    120.002
   5    6    7   C3  Nar  Car    119.999
   5    6   11   C3  Nar  Car    120.002
   7    6   11  Car  Nar  Car    119.999
   6    7    8  Nar  Car  Car    119.999
   7    8    9  Car  Car  Car    119.999
   8    9   10  Car  Car  Car    119.999
   9   10   11  Car  Car  Car    120.002
   6   11   10  Nar  Car  Car    120.002


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