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Quinoline-5-carbaldehyde
Quinoline-5-carbaldehyde ID: B187348
CAS:22934-41-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(C=O)cccc1nccc2	
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    1.4316     0.0000 
   C   3    0.8233     2.1833     0.0000 
   C   4    0.8250     0.8254     1.4280     0.0000 
   O   5    2.1865     3.6026     1.4352     2.8631     0.0000 
   C   6    1.4280     2.8596     0.8250     2.1821     0.8275     0.0000 
   C   7    1.6466     2.1777     1.4280     1.4250     2.4833     2.1821 
   C   8    1.6529     0.8192     2.4762     1.4251     3.7883     2.9790 
   C   9    1.4250     2.4720     0.8233     1.6466     1.6583     1.4280 
   C  10    0.8305     1.6542     1.4333     1.4321     2.4812     1.6538 
   C  11    1.4280     1.4250     1.6500     0.8233     2.9822     2.4750 
   C  12    1.4333     1.4321     2.1859     1.6517     3.3066     2.4792 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.8500     0.0000 
   C   9    0.8250     2.9705     0.0000 
   C  10    2.4771     1.4347     2.1851     0.0000 
   C  11    0.8233     2.1746     1.4280     2.1856     0.0000 
   C  12    2.9738     0.8333     2.8583     0.8254     2.4750     0.0000 




ATOMIC CHARGES
   C   1    0.0208843117
   N   2   -0.2438365480
   C   3    0.0436586323
   C   4    0.0814068836
   O   5   -0.2831440239
   C   6    0.2341998754
   C   7    0.0016476228
   C   8    0.0988264852
   C   9    0.0033844203
   C  10    0.0031922088
   C  11    0.0190997303
   C  12    0.0206804016


BOND ANGLES
   3    1    4  Car  Car  Car    120.069
   3    1   10  Car  Car  Car    120.150
   4    1   10  Car  Car  Car    119.782
   4    2    8  Car  Nar  Car    120.113
   1    3    6  Car  Car   C2    120.069
   1    3    9  Car  Car  Car    119.863
   6    3    9   C2  Car  Car    120.069
   1    4    2  Car  Car  Nar    120.321
   2    4   11  Nar  Car  Car    119.611
   1    4   11  Car  Car  Car    120.069
   3    6    5  Car   C2   O2    120.566
   9    7   11  Car  Car  Car    120.069
   2    8   12  Nar  Car  Car    120.137
   3    9    7  Car  Car  Car    120.069
   1   10   12  Car  Car  Car    119.897
   4   11    7  Car  Car  Car    119.863
   8   12   10  Car  Car  Car    119.750


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