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5-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
5-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride ID: API-29002
CAS:103030-69-9
Supplier:APIchem

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SMILES:c12c(OC)cccc1CNCC2.Cl	ChemMol.com
FORMULA: C10H14ClNO
MASS: 199.6773
EXACT MASS: 199.0763918
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4     Cl   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.5008     0.0000 
   C   3    0.7354     2.2363     0.0000 
   C   4    0.7500     1.3000     1.2859     0.0000 
  Cl   5    2.4142     0.9450     3.1450     2.0487     0.0000 
   C   6    1.2972     0.7541     1.9677     0.7468     1.3189     0.0000 
   O   7    1.2843     2.6906     0.7458     1.9699     3.6328     2.5815 
   C   8    0.7504     1.2993     1.2875     1.2993     2.2341     1.5000 
   C   9    1.4829     2.5792     1.2879     1.2792     3.2784     1.9612 
   C  10    1.3000     0.7500     1.9719     1.5008     1.5888     1.3014 
   C  11    1.2894     1.9727     1.4875     0.7375     2.5810     1.2833 
   C  12    1.2792     2.6837     0.7432     1.4787     3.5149     2.2255 
   C  13    1.4875     2.5877     1.2894     2.2375     3.5202     2.6911 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.4874     0.0000 
   C   9    1.9686     2.2333     0.0000 
   C  10    2.2378     0.7504     2.6860     0.0000 
   C  11    2.2333     1.9736     0.7411     2.2383     0.0000 
   C  12    1.2894     1.9669     0.7417     2.5792     1.2843     0.0000 
   C  13    0.7432     1.2885     2.5774     1.9755     2.6851     1.9682 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0106250758
   N   2   -0.2129355806
   C   3    0.1344764391
   C   4   -0.0058172803
  Cl   5    0.0000000000
   C   6    0.1147701262
   O   7   -0.4717552271
   C   8    0.0479510515
   C   9    0.0028137065
   C  10    0.0938538972
   C  11   -0.0029864863
   C  12    0.0365532184
   C  13    0.2524510596


BOND ANGLES
   3    1    4  Car  Car  Car    119.908
   3    1    8  Car  Car   C3    120.110
   4    1    8  Car  Car   C3    119.982
   6    2   10   C3   N3   C3    119.822
   1    3    7  Car  Car   O3    120.231
   1    3   12  Car  Car  Car    119.790
   7    3   12   O3  Car  Car    119.979
   1    4    6  Car  Car   C3    120.143
   1    4   11  Car  Car  Car    120.184
   6    4   11   C3  Car  Car    119.673
   2    6    4   N3   C3  Car    120.035
   3    7   13  Car   O3   C3    119.979
   1    8   10  Car   C3   C3    120.037
  11    9   12  Car  Car  Car    120.021
   2   10    8   N3   C3   C3    119.982
   4   11    9  Car  Car  Car    119.795
   3   12    9  Car  Car  Car    120.301


TORSION ANGLES
   6    2   10    8      0.026
   7    3    1    4    179.974
   7    3    1    8      0.026
  12    3    1    4      0.026
  12    3    1    8    179.974
   6    4    1    3    179.974
   6    4    1    8      0.026
  11    4    1    3      0.026
  11    4    1    8    179.974
   2    6    4    1      0.026
   2    6    4   11    179.974
  13    7    3    1      0.026
  13    7    3   12    179.974
  10    8    1    3    179.974
  10    8    1    4      0.026
  12    9   11    4      0.026
   2   10    8    1      0.026
   9   11    4    1      0.026
   9   11    4    6    179.974
   9   12    3    1      0.026
   9   12    3    7    179.974
   4    6    2   10      0.026
   3   12    9   11      0.026