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8-Quinolinecarboxaldehyde
8-Quinolinecarboxaldehyde ID: B187350
CAS:38707-70-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(C=O)cccc2cccn1	
FORMULA: C10H7NO
MASS: 157.1687
EXACT MASS: 157.0527638
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8233     0.0000 
   N   3    0.8254     1.4250     0.0000 
   C   4    1.4301     0.8250     1.6481     0.0000 
   O   5    1.6500     1.4280     1.4243     0.8269     0.0000 
   C   6    0.8250     1.4280     1.4316     2.1835     2.4750     0.0000 
   C   7    1.4250     0.8233     2.1777     1.4259     2.1802     1.6466 
   C   8    1.6466     1.4280     2.4720     2.1807     2.8559     1.4250 
   C   9    1.4251     2.1746     0.8192     2.4673     2.1707     1.6529 
   C  10    1.4280     1.6500     2.1833     2.4750     2.9741     0.8233 
   C  11    1.4321     2.1856     1.6542     2.8622     2.9761     0.8305 
   C  12    1.6517     2.4750     1.4321     2.9764     2.8564     1.4333 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    2.8500     2.9705     0.0000 
   C  10    1.4280     0.8233     2.4762     0.0000 
   C  11    2.4771     2.1851     1.4347     1.4333     0.0000 
   C  12    2.9738     2.8583     0.8333     2.1859     0.8254     0.0000 




ATOMIC CHARGES
   C   1    0.0844506050
   C   2    0.0598221487
   N   3   -0.2437340676
   C   4    0.2356544571
   O   5   -0.2830916861
   C   6    0.0178026241
   C   7    0.0047972729
   C   8    0.0002006937
   C   9    0.0988279813
   C  10    0.0014995791
   C  11    0.0030912591
   C  12    0.0206791326


BOND ANGLES
   2    1    3  Car  Car  Nar    119.611
   2    1    6  Car  Car  Car    120.069
   3    1    6  Nar  Car  Car    120.321
   1    2    4  Car  Car   C2    120.360
   1    2    7  Car  Car  Car    119.863
   4    2    7   C2  Car  Car    119.777
   1    3    9  Car  Nar  Car    120.113
   2    4    5  Car   C2   O2    119.631
   1    6   10  Car  Car  Car    120.069
   1    6   11  Car  Car  Car    119.782
  10    6   11  Car  Car  Car    120.150
   2    7    8  Car  Car  Car    120.069
   7    8   10  Car  Car  Car    120.069
   3    9   12  Nar  Car  Car    120.137
   6   10    8  Car  Car  Car    119.863
   6   11   12  Car  Car  Car    119.897
   9   12   11  Car  Car  Car    119.750


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