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Products Information


ID: 1701407969
Supplier:Focus Synthesis LLC.

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SMILES:N(c1ncccc1)(C1CCC1)C	
FORMULA: C10H14N2
MASS: 162.2316
EXACT MASS: 162.1156985
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8338     0.0000 
   N   3    1.4274     0.8197     0.0000 
   C   4    0.8197     1.4362     1.6529     0.0000 
   C   5    0.8250     1.5259     2.2317     1.3101     0.0000 
   C   6    1.4341     0.8219     1.4260     2.1844     1.8200     0.0000 
   C   7    1.9719     2.4094     2.2629     1.1685     2.4315     3.2210 
   C   8    2.1858     1.4271     0.8250     2.4778     2.9463     1.6555 
   C   9    1.5875     2.2599     2.4031     0.8237     1.7964     2.9970 
   C  10    1.4319     1.6646     1.4421     0.8299     2.1020     2.4865 
   C  11    2.1898     1.4260     1.6486     2.8622     2.6464     0.8279 
   C  12    2.4867     1.6529     1.4362     2.9862     3.1170     1.4354 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0026     0.0000 
   C   9    0.8248     3.2177     0.0000 
   C  10    0.8208     2.1916     1.1644     0.0000 
   C  11    3.7822     1.4349     3.6859     2.9882     0.0000 
   C  12    3.6991     0.8368     3.7850     2.8783     0.8256     0.0000 




ATOMIC CHARGES
   N   1   -0.2931221204
   C   2    0.1316918408
   N   3   -0.2291697430
   C   4    0.0741896350
   C   5    0.1134908532
   C   6    0.0343278389
   C   7    0.0033966417
   C   8    0.1003059563
   C   9    0.0198273146
   C  10    0.0198273146
   C  11    0.0044610686
   C  12    0.0207733997


BOND ANGLES
   2    1    4  Car  Npl   C3    120.583
   2    1    5  Car  Npl   C3    133.816
   4    1    5   C3  Npl   C3    105.601
   1    2    3  Npl  Car  Nar    119.368
   1    2    6  Npl  Car  Car    120.024
   3    2    6  Nar  Car  Car    120.608
   2    3    8  Car  Nar  Car    120.383
   1    4    9  Npl   C3   C3    150.025
   1    4   10  Npl   C3   C3    120.454
   9    4   10   C3   C3   C3     89.521
   2    6   11  Car  Car  Car    119.622
   9    7   10   C3   C3   C3     90.075
   3    8   12  Nar  Car  Car    119.585
   4    9    7   C3   C3   C3     90.282
   4   10    7   C3   C3   C3     90.122
   6   11   12  Car  Car  Car    120.475
   8   12   11  Car  Car  Car    119.327


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