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4-(aminomethyl)-2-isopropylphenol
4-(aminomethyl)-2-isopropylphenol
ID: Cs00302
Supplier:Clousem

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SMILES:c1cc(cc(c1O)C(C)C)CN	
FORMULA: C10H15NO
MASS: 165.2322
EXACT MASS: 165.1153641
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6403     1.5272     0.0000 
   C   4    3.0460     2.6379     1.5188     0.0000 
   C   5    2.6354     3.0460     2.6379     1.5272     0.0000 
   C   6    1.5188     2.6355     3.0460     2.6403     1.5230     0.0000 
   O   7    2.6357     4.0260     4.5637     4.0229     2.6261     1.5178 
   C   8    4.0260     4.5637     4.0197     2.6309     1.5178     2.6406 
   C   9    5.2605     5.4737     4.5464     3.0276     2.6252     4.0212 
   C  10    4.5715     5.4911     5.2703     4.0244     2.6324     3.0527 
   C  11    4.0229     2.6309     1.5177     2.6357     4.0292     4.5637 
   N  12    4.5527     3.0298     2.6288     4.0205     5.2667     5.4755 

              O   7      C   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    3.0407     0.0000 
   C   9    4.5542     1.5135     0.0000 
   C  10    2.6407     1.5219     2.6287     0.0000 
   C  11    6.0814     5.2667     5.4729     6.6313     0.0000 
   N  12    6.9600     6.6218     6.9541     7.8990     1.5177     0.0000 




ATOMIC CHARGES
   C   1    0.0414175802
   C   2    0.0004395135
   C   3   -0.0032978287
   C   4   -0.0039420790
   C   5    0.0161465291
   C   6    0.1916819782
   O   7   -0.2869093495
   C   8    0.0254854661
   C   9    0.0047912215
   C  10    0.0047912215
   C  11    0.1356121202
   N  12   -0.1262163733


BOND ANGLES
   2    1    6  Car  Car  Car    120.094
   1    2    3  Car  Car  Car    119.908
   2    3    4  Car  Car  Car    119.998
   2    3   11  Car  Car   C3    119.544
   4    3   11  Car  Car   C3    120.458
   3    4    5  Car  Car  Car    120.000
   4    5    6  Car  Car  Car    119.910
   4    5    8  Car  Car   C3    119.544
   6    5    8  Car  Car   C3    120.547
   1    6    5  Car  Car  Car    120.090
   5    6    7  Car  Car   O3    119.455
   1    6    7  Car  Car   O3    120.455
   5    8    9  Car   C3   C3    120.001
   5    8   10  Car   C3   C3    120.001
   9    8   10   C3   C3   C3    119.998
   3   11   12  Car   C3   N3    120.005


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