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6-Amino-3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204053
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ccc2c(c1)C(C(CCC2)N)O)OC	
FORMULA: C12H17NO2
MASS: 207.2689
EXACT MASS: 207.1259288
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5315     0.0000 
   C   3    0.9205     0.5315     0.0000 
   C   4    1.0630     0.9206     0.5315     0.0000 
   C   5    0.9206     1.0630     0.9205     0.5315     0.0000 
   C   6    0.5315     0.9206     1.0630     0.9206     0.5315     0.0000 
   C   7    1.5906     1.3767     0.8784     0.5316     0.9578     1.4287 
   C   8    1.9982     1.8665     1.3950     0.9577     1.1942     1.7217 
   C   9    2.1018     2.1018     1.7093     1.1943     1.1942     1.7093 
   C  10    1.8665     1.9982     1.7216     1.1942     0.9577     1.3950 
   C  11    1.3767     1.5906     1.4286     0.9578     0.5316     0.8784 
   N  12    2.2743     2.4745     2.2383     1.7165     1.4127     1.7632 
   O  13    1.4849     1.8412     1.8125     1.4125     0.8999     0.9563 
   O  14    0.5313     0.9216     1.4067     1.5943     1.4052     0.9192 
   C  15    0.0024     0.5336     0.9218     1.0630     0.9194     0.5294 

              C   7      C   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5314     0.0000 
   C   9    0.9577     0.5315     0.0000 
   C  10    1.1942     0.9577     0.5314     0.0000 
   C  11    1.1943     1.1942     0.9576     0.5314     0.0000 
   N  12    1.7165     1.4127     0.9001     0.5316     0.9000     0.0000 
   O  13    1.7163     1.7162     1.4124     0.8998     0.5312     0.9925 
   O  14    2.1215     2.5250     2.5991     2.3138     1.7962     2.6691 
   C  15    1.5907     1.9979     2.1008     1.8651     1.3750     2.2726 

              O  13      O  14      C  15
              ---------------------------------
   O  13    0.0000 
   O  14    1.7749     0.0000 
   C  15    1.4827     0.5313     0.0000 



ATOMIC CHARGES
   C   1    0.1384776456
   C   2    0.0365595185
   C   3   -0.0013878518
   C   4   -0.0235435095
   C   5    0.0081928434
   C   6    0.0347986454
   C   7    0.0261638775
   C   8    0.0062479643
   C   9    0.0223263619
   C  10    0.1263095159
   C  11    0.1914319359
   N  12   -0.1298643351
   O  13   -0.2167424999
   O  14   -0.4714364956
   C  15    0.2524663833


BOND ANGLES
   6    1   14  Car  Car   O3    119.739
   2    1    6  Car  Car  Car    120.004
   2    1   14  Car  Car   O3    120.257
   1    2    3  Car  Car  Car    119.995
   2    3    4  Car  Car  Car    120.010
   3    4    5  Car  Car  Car    119.995
   3    4    7  Car  Car   C3    111.436
   5    4    7  Car  Car   C3    128.569
   4    5    6  Car  Car  Car    120.004
   4    5   11  Car  Car   C3    128.569
   6    5   11  Car  Car   C3    111.427
   1    6    5  Car  Car  Car    119.991
   4    7    8  Car   C3   C3    128.569
   7    8    9   C3   C3   C3    128.574
   8    9   10   C3   C3   C3    128.572
   9   10   11   C3   C3   C3    128.579
   9   10   12   C3   C3   N3    115.715
  11   10   12   C3   C3   N3    115.707
   5   11   10  Car   C3   C3    128.569
  10   11   13   C3   C3   O3    115.718
   5   11   13  Car   C3   O3    115.713
   1   14   15  Car   O3   C3      0.261


TORSION ANGLES
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   3    4    5   11    179.974
   7    4    5    6    179.974
   7    4    5   11      0.026
   4    5    6    1      0.026
  11    5    6    1    179.974
   5    6    1   14    179.974
   5    6    1    2      0.026
   3    4    7    8    179.974
   5    4    7    8      0.026
   4    7    8    9      0.026
   7    8    9   10      0.026
   8    9   10   11      0.026
   8    9   10   12    179.974
   9   10   11    5      0.026
   9   10   11   13    179.974
  12   10   11    5    179.974
  12   10   11   13      0.026
  10   11    5    4      0.026
  10   11    5    6    179.974
  13   11    5    4    179.974
  13   11    5    6      0.026
   6    1   14   15      0.026
   2    1   14   15    179.974
   6    1    2    3      0.026
  14    1    2    3    179.974


CHIRAL ATOMS
  14    1    2    3    179.974
  14    1    2    3    179.974