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2-Quinolinecarboxaldehyde
2-Quinolinecarboxaldehyde ID: B187346
CAS:5470-96-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c2c(ccc1C=O)cccc2	
FORMULA: C10H7NO
MASS: 157.1687
EXACT MASS: 157.0527638
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8254     0.0000 
   C   3    0.8192     1.4251     0.0000 
   C   4    1.4316     0.8250     1.6529     0.0000 
   O   5    2.1828     2.8583     1.4333     2.9797     0.0000 
   C   6    1.6542     1.4321     1.4347     0.8305     2.4783     0.0000 
   C   7    1.4250     2.1793     0.8233     2.4762     0.8284     2.1842 
   C   8    1.4321     1.6517     0.8333     1.4333     1.6529     0.8254 
   C   9    1.4250     0.8233     2.1746     1.4280     3.5927     2.1856 
   C  10    2.1833     1.4280     2.4762     0.8233     3.7847     1.4333 
   C  11    2.1777     1.4250     2.8500     1.6466     4.2833     2.4771 
   C  12    2.4720     1.6466     2.9705     1.4250     4.3652     2.1851 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4311     0.0000 
   C   9    2.8500     2.4750     0.0000 
   C  10    3.2995     2.1859     1.6500     0.0000 
   C  11    3.5878     2.9738     0.8233     1.4280     0.0000 
   C  12    3.7754     2.8583     1.4280     0.8233     0.8250     0.0000 




ATOMIC CHARGES
   N   1   -0.2420160461
   C   2    0.0813693136
   C   3    0.1233733832
   C   4    0.0177012430
   O   5   -0.2814615171
   C   6    0.0031461662
   C   7    0.2531329536
   C   8    0.0225171182
   C   9    0.0190979486
   C  10    0.0014969919
   C  11    0.0015446118
   C  12    0.0000978333


BOND ANGLES
   2    1    3  Car  Nar  Car    120.113
   1    2    4  Nar  Car  Car    120.321
   1    2    9  Nar  Car  Car    119.611
   4    2    9  Car  Car  Car    120.069
   1    3    7  Nar  Car   C2    120.365
   1    3    8  Nar  Car  Car    120.137
   7    3    8   C2  Car  Car    119.498
   2    4   10  Car  Car  Car    120.069
   2    4    6  Car  Car  Car    119.782
   6    4   10  Car  Car  Car    120.150
   4    6    8  Car  Car  Car    119.897
   3    7    5  Car   C2   O2    120.402
   3    8    6  Car  Car  Car    119.750
   2    9   11  Car  Car  Car    119.863
   4   10   12  Car  Car  Car    119.863
   9   11   12  Car  Car  Car    120.069
  10   12   11  Car  Car  Car    120.069


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