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2-methoxypyridine
2-methoxypyridine ID: AN-49570
CAS:1628-89-3
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1ncccc1)C	74201
FORMULA: C6H7NO
MASS: 109.1259
EXACT MASS: 109.0527638
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    1.7321     0.0000 
   C   3    1.0000     1.0001     0.0000 
   C   4    1.7320     1.7321     1.0000     0.0000 
   C   5    2.6458     2.0000     1.7321     1.0001     0.0000 
   C   6    3.0000     1.7320     2.0000     1.7321     1.0000     0.0000 
   C   7    2.6458     1.0000     1.7321     2.0000     1.7320     1.0000 
   C   8    1.0000     2.6458     1.7320     2.0000     3.0000     3.6055 
   H   9    1.8397     2.2901     1.4158     0.6200     1.4158     2.2901 
   H  10    3.1408     2.6200     2.2901     1.4158     0.6200     1.4158 
   H  11    3.6200     2.2900     2.6200     2.2901     1.4157     0.6200 
   H  12    3.1408     1.4157     2.2901     2.6200     2.2900     1.4158 
   H  13    1.1766     2.5121     1.5200     1.4955     2.4825     3.1879 
   H  14    1.6199     3.2380     2.2900     2.3715     3.3533     4.0601 
   H  15    1.1766     2.9083     2.1114     2.5557     3.5505     4.0750 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.4641     0.0000 
   H   9    2.6200     1.7732     0.0000 
   H  10    2.2901     3.3533     1.6200     0.0000 
   H  11    1.4158     4.2100     2.8059     1.6199     0.0000 
   H  12    0.6200     4.0130     3.2400     2.8059     1.6200     0.0000 
   H  13    3.1995     0.6200     1.1752     2.7824     3.7711     3.7869 
   H  14    4.0130     0.6200     2.0000     3.6200     4.6468     4.5801 
   H  15    3.8121     0.6200     2.3825     3.9391     4.6900     4.3170 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2399     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4796485041
   N   2   -0.2213321562
   C   3    0.2143779426
   C   4   -0.0000299602
   C   5   -0.0553006643
   C   6   -0.0433539760
   C   7    0.0313862444
   C   8    0.0804088709
   H   9    0.0670593146
   H  10    0.0619669662
   H  11    0.0632679787
   H  12    0.0830595899
   H  13    0.0660461179
   H  14    0.0660461179
   H  15    0.0660461179


BOND ANGLES
   3    1    8  Car   O3   C3    119.999
   3    2    7  Car  Nar  Car    120.001
   1    3    2   O3  Car  Nar    120.001
   1    3    4   O3  Car  Car    120.001
   2    3    4  Nar  Car  Car    119.998
   3    4    5  Car  Car  Car    119.998
   3    4    9  Car  Car   HC    120.002
   5    4    9  Car  Car   HC    120.000
   4    5    6  Car  Car  Car    120.001
   4    5   10  Car  Car   HC    119.998
   6    5   10  Car  Car   HC    120.001
   5    6    7  Car  Car  Car    120.001
   5    6   11  Car  Car   HC    119.998
   7    6   11  Car  Car   HC    120.002
   2    7    6  Nar  Car  Car    120.001
   2    7   12  Nar  Car   HC    119.998
   6    7   12  Car  Car   HC    120.002
   1    8   13   O3   C3   HC     89.999
   1    8   14   O3   C3   HC    179.974
   1    8   15   O3   C3   HC     90.001
  13    8   14   HC   C3   HC     90.000
  13    8   15   HC   C3   HC    179.974
  14    8   15   HC   C3   HC     90.000


TORSION ANGLES
   8    1    3    2    179.974
   8    1    3    4      0.026
   3    1    8   13      0.026
   3    1    8   14      0.026
   3    1    8   15    179.974
   7    2    3    1    179.974
   7    2    3    4      0.026
   3    2    7    6      0.026
   3    2    7   12    179.974
   1    3    4    5    179.974
   1    3    4    9      0.026
   2    3    4    5      0.026
   2    3    4    9    179.974
   3    4    5    6      0.026
   3    4    5   10    179.974
   9    4    5    6    179.974
   9    4    5   10      0.026
   4    5    6    7      0.026
   4    5    6   11    179.974
  10    5    6    7    179.974
  10    5    6   11      0.026
   5    6    7    2      0.026
   5    6    7   12    179.974
  11    6    7    2    179.974
  11    6    7   12      0.026