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Products Information


ID: 1701407953
Supplier:Focus Synthesis LLC.

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SMILES:C1(CC1)(c1ccccc1)CN	
FORMULA: C10H13N
MASS: 147.2169
EXACT MASS: 147.1047994
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8233     0.0000 
   C   3    0.8233     0.8250     0.0000 
   C   4    0.8250     1.5919     1.5919     0.0000 
   C   5    0.8250     0.8233     1.4280     1.1667     0.0000 
   N   6    1.4280     0.8250     1.6500     1.9737     0.8233     0.0000 
   C   7    1.4280     2.2512     1.9729     0.8233     1.9737     2.7577 
   C   8    1.4321     1.9742     2.2554     0.8305     1.2419     2.0173 
   C   9    2.1848     2.7921     2.9975     1.4321     2.0651     2.8227 
   C  10    2.1821     2.9944     2.7912     1.4280     2.5725     3.3916 
   C  11    2.4750     3.2141     3.2141     1.6500     2.6089     3.4193 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.4333     0.0000 
   C   9    1.6538     0.8250     0.0000 
   C  10    0.8250     1.6538     1.4333     0.0000 
   C  11    1.4280     1.4321     0.8305     0.8233     0.0000 



ATOMIC CHARGES
   C   1    0.0366095851
   C   2    0.0058651808
   C   3    0.0058651808
   C   4   -0.0213945174
   C   5    0.1132435872
   N   6   -0.1310417909
   C   7   -0.0042413866
   C   8   -0.0042413866
   C   9   -0.0003222157
   C  10   -0.0003222157
   C  11   -0.0000200211


BOND ANGLES
   2    1    3   C3   C3   C3     60.137
   2    1    4   C3   C3  Car    149.931
   2    1    5   C3   C3   C3     59.931
   3    1    4   C3   C3  Car    149.931
   3    1    5   C3   C3   C3    120.069
   4    1    5  Car   C3   C3     90.000
   1    2    3   C3   C3   C3     59.931
   1    3    2   C3   C3   C3     59.931
   1    4    7   C3  Car  Car    120.069
   1    4    8   C3  Car  Car    119.782
   7    4    8  Car  Car  Car    120.150
   1    5    6   C3   C3   N3    120.069
   4    7   10  Car  Car  Car    120.069
   4    8    9  Car  Car  Car    119.782
   8    9   11  Car  Car  Car    119.782
   7   10   11  Car  Car  Car    120.069
   9   11   10  Car  Car  Car    120.150


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