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6-Amino-4-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-4-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204042
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(N)CCCc2cccc1F)O	
FORMULA: C11H14FNO
MASS: 195.2334
EXACT MASS: 195.1059423
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5303     0.0000 
   C   3    0.5339     0.8775     0.0000 
   C   4    0.5292     0.9561     0.9205     0.0000 
   C   5    0.9581     0.5337     1.3967     1.1947     0.0000 
   O   6    1.0089     0.5306     1.1664     1.4809     0.7367     0.0000 
   N   7    1.4106     0.9000     1.7627     1.7134     0.5278     0.7447 
   F   8    0.9241     0.9917     0.5333     1.4074     1.5128     1.0135 
   C   9    1.0621     1.5880     0.9185     0.9209     1.9986     2.0135 
   C  10    1.1921     1.1945     1.7220     0.9572     0.9584     1.6331 
   C  11    0.9204     1.4285     1.0625     0.5338     1.7244     1.9287 
   C  12    0.9561     1.1958     1.4285     0.5303     1.1983     1.7138 
   C  13    0.9209     1.3744     0.5303     1.0621     1.8668     1.6967 
   C  14    1.1918     0.9579     1.7090     1.1927     0.5312     1.2663 

              N   7      F   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   F   8    1.7334     0.0000 
   C   9    2.4717     1.4060     0.0000 
   C  10    1.4099     2.0797     1.8663     0.0000 
   C  11    2.2375     1.5958     0.5303     1.3968     0.0000 
   C  12    1.7169     1.8787     1.3744     0.5346     0.8775     0.0000 
   C  13    2.2723     0.9220     0.5292     1.9970     0.9184     1.5880 
   C  14    0.8973     1.9415     2.1004     0.5312     1.7103     0.9605 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    2.0999     0.0000 



ATOMIC CHARGES
   C   1    0.0326588377
   C   2    0.1934799723
   C   3    0.1382328604
   C   4   -0.0215779153
   C   5    0.1263837567
   O   6   -0.2166664980
   N   7   -0.1298633068
   F   8   -0.2044337850
   C   9    0.0019637291
   C  10    0.0062488887
   C  11   -0.0043582087
   C  12    0.0262331929
   C  13    0.0293710858
   C  14    0.0223273903


BOND ANGLES
   2    1    3   C3  Car  Car    111.092
   2    1    4   C3  Car  Car    128.938
   3    1    4  Car  Car  Car    119.970
   1    2    5  Car   C3   C3    128.442
   1    2    6  Car   C3   O3    143.957
   5    2    6   C3   C3   O3     87.601
   1    3    8  Car  Car    F    119.970
   1    3   13  Car  Car  Car    119.839
   8    3   13    F  Car  Car    120.191
   1    4   11  Car  Car  Car    119.961
   1    4   12  Car  Car   C3    128.938
  11    4   12  Car  Car   C3    111.101
   2    5    7   C3   C3   N3    115.972
   2    5   14   C3   C3   C3    128.181
   7    5   14   N3   C3   C3    115.846
  11    9   13  Car  Car  Car    120.182
  12   10   14   C3   C3   C3    128.621
   4   11    9  Car  Car  Car    119.858
   4   12   10  Car   C3   C3    128.003
   3   13    9  Car  Car  Car    120.191
   5   14   10   C3   C3   C3    128.877


TORSION ANGLES
   5    2    1    3    179.974
   5    2    1    4      0.026
   6    2    1    3      0.026
   6    2    1    4    179.974
   8    3    1    2      0.026
   8    3    1    4    179.974
  13    3    1    2    179.974
  13    3    1    4      0.026
  11    4    1    2    179.974
  11    4    1    3      0.026
  12    4    1    2      0.026
  12    4    1    3    179.974
   7    5    2    1    179.974
   7    5    2    6      0.026
  14    5    2    1      0.026
  14    5    2    6    179.974
  11    9   13    3      0.026
  14   10   12    4      0.026
   9   11    4    1      0.026
   9   11    4   12    179.974
  10   12    4    1      0.026
  10   12    4   11    179.974
   9   13    3    1      0.026
   9   13    3    8    179.974
  10   14    5    2      0.026
  10   14    5    7    179.974
   4   11    9   13      0.026
   5   14   10   12      0.026


CHIRAL ATOMS
   5   14   10   12      0.026
   5   14   10   12      0.026