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7-Quinolinecarboxaldehyde
7-Quinolinecarboxaldehyde ID: B187349
CAS:49573-30-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12ncccc2ccc(c1)C=O	
FORMULA: C10H7NO
MASS: 157.1687
EXACT MASS: 157.0527638
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8254     0.0000 
   C   3    0.8233     1.4250     0.0000 
   C   4    0.8250     1.4316     1.4280     0.0000 
   O   5    2.4699     2.9658     1.6466     2.9703     0.0000 
   C   6    1.4280     2.1833     1.6500     0.8233     2.8559     0.0000 
   C   7    1.4250     2.1777     0.8233     1.6466     1.4280     1.4280 
   C   8    2.1769     2.8500     1.4250     2.4699     0.8250     2.1802 
   C   9    1.6466     2.4720     1.4280     1.4250     2.1821     0.8233 
   C  10    1.4251     0.8192     2.1746     1.6529     3.7672     2.4762 
   C  11    1.4321     1.6542     2.1856     0.8305     3.7809     1.4333 
   C  12    1.6517     1.4321     2.4750     1.4333     4.1216     2.1859 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8233     0.0000 
   C   9    0.8250     1.4280     0.0000 
   C  10    2.8500     3.5849     2.9705     0.0000 
   C  11    2.4771     3.3004     2.1851     1.4347     0.0000 
   C  12    2.9738     3.7778     2.8583     0.8333     0.8254     0.0000 




ATOMIC CHARGES
   C   1    0.0814081931
   N   2   -0.2438365424
   C   3    0.0223826108
   C   4    0.0177023377
   O   5   -0.2831440212
   C   6    0.0016000001
   C   7    0.0437069346
   C   8    0.2342004975
   C   9    0.0033844312
   C  10    0.0988264800
   C  11    0.0030899574
   C  12    0.0206791211


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


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