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6-Amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204035
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1c(cc2c(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    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   C   4    1.2001     1.0393     0.6001     0.0000 
   C   5    1.0393     1.2001     1.0393     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0393     0.6001     0.0000 
   C   7    1.7956     1.5541     0.9916     0.6000     1.0812     1.6128 
   C   8    2.2557     2.1071     1.5748     1.0811     1.3481     1.9435 
   C   9    2.3726     2.3726     1.9297     1.3481     1.3481     1.9297 
   C  10    2.1071     2.2558     1.9436     1.3482     1.0811     1.5748 
   C  11    1.5541     1.7956     1.6128     1.0812     0.6000     0.9916 
   O  12    1.6763     2.0787     2.0464     1.5948     1.0161     1.0797 
   N  13    2.5674     2.7935     2.5269     1.9377     1.5947     1.9904 
   O  14    1.0424     0.6015     1.0387     1.5878     1.8016     1.5901 
   C  15    1.9866     1.7950     2.2887     2.8248     2.9503     2.5860 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    1.0811     0.5999     0.0000 
   C  10    1.3482     1.0811     0.6000     0.0000 
   C  11    1.3482     1.3481     1.0811     0.5999     0.0000 
   O  12    1.9378     1.9377     1.5948     1.0161     0.6001     0.0000 
   N  13    1.9377     1.5947     1.0161     0.6000     1.0160     1.1207 
   O  14    2.0287     2.6132     2.9355     2.8521     2.3967     2.6566 
   C  15    3.2783     3.8629     4.1667     4.0284     3.5179     3.6544 

              N  13      O  14      C  15
              ---------------------------------
   N  13    0.0000 
   O  14    3.3945     0.0000 
   C  15    4.5334     1.2500     0.0000 



ATOMIC CHARGES
   C   1    0.0366357346
   C   2    0.1384016712
   C   3    0.0324040270
   C   4   -0.0207308533
   C   5    0.0053781307
   C   6    0.0010074728
   C   7    0.0262628970
   C   8    0.0062492778
   C   9    0.0223263614
   C  10    0.1263081574
   C  11    0.1913364647
   O  12   -0.2167438686
   N  13   -0.1298643410
   O  14   -0.4714375091
   C  15    0.2524663772


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2   14  Car  Car   O3    120.346
   3    2   14  Car  Car   O3    119.653
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.003
   3    4    5  Car  Car  Car    119.996
   3    4    7  Car  Car   C3    111.432
   5    4    7  Car  Car   C3    128.572
   4    5    6  Car  Car  Car    119.996
   4    5   11  Car  Car   C3    128.572
   6    5   11  Car  Car   C3    111.432
   1    6    5  Car  Car  Car    120.003
   4    7    8  Car   C3   C3    128.562
   7    8    9   C3   C3   C3    128.582
   8    9   10   C3   C3   C3    128.574
   9   10   11   C3   C3   C3    128.568
   9   10   13   C3   C3   N3    115.717
  11   10   13   C3   C3   N3    115.715
   5   11   10  Car   C3   C3    128.571
  10   11   12   C3   C3   O3    115.722
   5   11   12  Car   C3   O3    115.707
   2   14   15  Car   O3   C3    149.654


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


CHIRAL ATOMS
   1    2    3    4      0.026
   1    2    3    4      0.026