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Products Information

5-methyl-Quinoline
5-methyl-Quinoline ID: B187340
CAS:7661-55-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(nccc2)cccc1C	
FORMULA: C10H9N
MASS: 143.1852
EXACT MASS: 143.0734993
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.4316     0.0000 
   C   3    0.8250     0.8254     0.0000 
   C   4    0.8233     2.1833     1.4280     0.0000 
   C   5    1.6466     2.1777     1.4250     1.4280     0.0000 
   C   6    1.6529     0.8192     1.4251     2.4762     2.8500     0.0000 
   C   7    1.4250     2.4720     1.6466     0.8233     0.8250     2.9705 
   C   8    0.8305     1.6542     1.4321     1.4333     2.4771     1.4347 
   C   9    1.4280     1.4250     0.8233     1.6500     0.8233     2.1746 
   C  10    1.4280     2.8596     2.1821     0.8250     2.1821     2.9790 
   C  11    1.4333     1.4321     1.6517     2.1859     2.9738     0.8333 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.1851     0.0000 
   C   9    1.4280     2.1856     0.0000 
   C  10    1.4280     1.6538     2.4750     0.0000 
   C  11    2.8583     0.8254     2.4750     2.4792     0.0000 



ATOMIC CHARGES
   C   1    0.0137495251
   N   2   -0.2438478790
   C   3    0.0810024045
   C   4   -0.0203920518
   C   5    0.0012222007
   C   6    0.0988262038
   C   7   -0.0041591862
   C   8    0.0027760626
   C   9    0.0190770701
   C  10    0.0310764650
   C  11    0.0206691852


BOND ANGLES
   3    1    4  Car  Car  Car    120.069
   3    1    8  Car  Car  Car    119.782
   4    1    8  Car  Car  Car    120.150
   3    2    6  Car  Nar  Car    120.113
   1    3    2  Car  Car  Nar    120.321
   2    3    9  Nar  Car  Car    119.611
   1    3    9  Car  Car  Car    120.069
   1    4    7  Car  Car  Car    119.863
   1    4   10  Car  Car   C3    120.069
   7    4   10  Car  Car   C3    120.069
   7    5    9  Car  Car  Car    120.069
   2    6   11  Nar  Car  Car    120.137
   4    7    5  Car  Car  Car    120.069
   1    8   11  Car  Car  Car    119.897
   3    9    5  Car  Car  Car    119.863
   6   11    8  Car  Car  Car    119.750


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