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Quinoline-6-carbaldehyde
Quinoline-6-carbaldehyde ID: CHH16523
CAS:4113-04-6
Supplier:ChemiK Co.,Ltd.

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SMILES:n1cccc2cc(ccc12)C=O	
FORMULA: C10H7NO
MASS: 157.1687
EXACT MASS: 157.0527638
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7175     0.0000 
   C   3    1.2427     0.7175     0.0000 
   C   4    1.4350     1.2428     0.7175     0.0000 
   C   5    1.2427     1.4350     1.2427     0.7175     0.0000 
   C   6    1.8983     2.1525     1.8983     1.2427     0.7175     0.0000 
   C   7    2.1525     2.5870     2.4855     1.8983     1.2428     0.7175 
   C   8    1.8983     2.4855     2.5870     2.1525     1.4350     1.2428 
   C   9    1.2427     1.8983     2.1525     1.8983     1.2427     1.4350 
   C  10    0.7174     1.2427     1.4350     1.2428     0.7175     1.2428 
   C  11    2.8699     3.2880     3.1275     2.4854     1.8983     1.2427 
   O  12    3.2879     3.7966     3.7282     3.1275     2.4855     1.8983 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7175     0.0000 
   C   9    1.2427     0.7175     0.0000 
   C  10    1.4350     1.2428     0.7175     0.0000 
   C  11    0.7175     1.2428     1.8983     2.1525     0.0000 
   O  12    1.2427     1.4350     2.1525     2.5870     0.7175     0.0000 




ATOMIC CHARGES
   N   1   -0.2438378439
   C   2    0.0988264740
   C   3    0.0206791262
   C   4    0.0030912274
   C   5    0.0178015103
   C   6    0.0047835569
   C   7    0.0423081056
   C   8    0.0048311841
   C   9    0.0192001728
   C  10    0.0813085396
   C  11    0.2341526312
   O  12   -0.2831446841


BOND ANGLES
   2    1   10  Car  Nar  Car    120.005
   1    2    3  Nar  Car  Car    119.995
   2    3    4  Car  Car  Car    120.002
   3    4    5  Car  Car  Car    119.991
   4    5    6  Car  Car  Car    119.991
   4    5   10  Car  Car  Car    120.006
   6    5   10  Car  Car  Car    120.002
   5    6    7  Car  Car  Car    119.995
   6    7    8  Car  Car  Car    120.002
   6    7   11  Car  Car   C2    119.991
   8    7   11  Car  Car   C2    120.006
   7    8    9  Car  Car  Car    119.995
   8    9   10  Car  Car  Car    120.009
   1   10    9  Nar  Car  Car    120.005
   5   10    9  Car  Car  Car    119.995
   1   10    5  Nar  Car  Car    119.999
   7   11   12  Car   C2   O2    119.991


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