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Products Information


ID: 1701407979
Supplier:Focus Synthesis LLC.

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SMILES:C12(CC3(NCC2)CCC3)OCCO1	
FORMULA: C10H17NO2
MASS: 183.2475
EXACT MASS: 183.1259288
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8269     0.0000 
   C   3    1.4252     0.8198     0.0000 
   N   4    1.6432     1.4240     0.8251     0.0000 
   O   5    0.9409     0.9535     1.7727     2.3147     0.0000 
   O   6    0.9419     1.7650     2.3240     2.3390     1.5188     0.0000 
   C   7    0.8251     1.4281     1.6433     1.4169     1.7647     0.9917 
   C   8    1.4267     1.6461     1.4226     0.8142     2.3125     1.8129 
   C   9    1.8283     1.0053     0.8260     1.6365     1.7310     2.7691 
   C  10    2.2316     1.6307     0.8249     1.0051     2.5737     3.0953 
   C  11    2.5057     1.7292     1.1665     1.7338     2.5424     3.4391 
   C  12    1.5302     2.2051     2.9349     3.1402     1.5230     0.9456 
   C  13    1.5165     1.8550     2.6710     3.1144     0.9300     1.5169 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8214     0.0000 
   C   9    2.3073     2.2321     0.0000 
   C  10    2.2990     1.8158     1.1645     0.0000 
   C  11    2.8098     2.4997     0.8209     0.8249     0.0000 
   C  12    1.9042     2.7191     3.1641     3.7531     3.9317     0.0000 
   C  13    2.2121     2.9313     2.6539     3.4856     3.4694     0.9421 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.1898657330
   C   2    0.0722804915
   C   3    0.0640895943
   N   4   -0.2204388151
   O   5   -0.3315446929
   O   6   -0.3315446929
   C   7    0.0750280339
   C   8    0.0936126772
   C   9    0.0162702057
   C  10    0.0162702057
   C  11    0.0027715959
   C  12    0.1766698319
   C  13    0.1766698319


BOND ANGLES
   2    1    5   C3   C3   O3     64.906
   2    1    6   C3   C3   O3    172.449
   2    1    7   C3   C3   C3    119.638
   5    1    6   O3   C3   O3    107.543
   5    1    7   O3   C3   C3    175.456
   6    1    7   O3   C3   C3     67.913
   1    2    3   C3   C3   C3    119.869
   2    3    9   C3   C3   C3     75.297
   2    3   10   C3   C3   C3    165.022
   2    3    4   C3   C3   N3    119.917
   9    3   10   C3   C3   C3     89.726
   4    3    9   N3   C3   C3    164.786
   4    3   10   N3   C3   C3     75.061
   3    4    8   C3   N3   C3    120.406
   1    5   13   C3   O3   C3    108.297
   1    6   12   C3   O3   C3    108.335
   1    7    8   C3   C3   C3    120.108
   4    8    7   N3   C3   C3    120.062
   3    9   11   C3   C3   C3     90.199
   3   10   11   C3   C3   C3     90.000
   9   11   10   C3   C3   C3     90.075
   6   12   13   O3   C3   C3    106.944
   5   13   12   O3   C3   C3    108.881


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