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2-Hydroxymethylmorpholine
2-Hydroxymethylmorpholine ID: API-28996
CAS:103003-01-6
Supplier:APIchem

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SMILES:O1C(CNCC1)CO	ChemMol.com
FORMULA: C5H11NO2
MASS: 117.1463
EXACT MASS: 117.0789786
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.0000     0.0000 
   N   3    2.0000     3.4641     0.0000 
   C   4    1.0000     1.7321     1.7320     0.0000 
   C   5    1.7320     2.6458     1.0000     1.0000     0.0000 
   C   6    1.7320     3.6056     1.0000     2.0000     1.7320     0.0000 
   C   7    1.0000     3.0000     1.7320     1.7320     2.0000     1.0000 
   C   8    1.7321     1.0000     2.6458     1.0001     1.7321     3.0000 
   H   9    0.9341     1.0829     2.5045     0.8500     1.8500     2.5342 
   H  10    2.0295     2.4059     1.5968     1.0812     0.6200     2.3451 
   H  11    2.3451     3.1512     1.0813     1.5967     0.6200     2.0295 
   H  12    2.3451     4.1713     1.0813     2.5068     2.0295     0.6200 
   H  13    2.0295     4.0024     1.5968     2.5068     2.3451     0.6200 
   H  14    1.5968     3.5889     2.0295     2.3451     2.5068     1.0812 
   H  15    1.0813     2.9562     2.3451     2.0295     2.5068     1.5967 
   H  16    2.6200     4.0131     0.6200     2.2901     1.4158     1.4158 
   H  17    2.3451     1.0812     3.1512     1.5968     2.1829     3.5888 
   H  18    2.0295     1.5967     2.4059     1.0813     1.4156     2.9561 
   H  19    2.6200     0.6200     4.0130     2.2901     3.1408     4.2100 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6458     0.0000 
   H   9    1.9293     0.9341     0.0000 
   H  10    2.5068     1.4155     1.8462     0.0000 
   H  11    2.5068     2.1829     2.4418     0.7971     0.0000 
   H  12    1.5967     3.4978     3.1140     2.6463     2.1562     0.0000 
   H  13    1.0812     3.4977     2.9195     2.9532     2.6463     0.7971 
   H  14    0.6200     3.2657     2.5308     3.0556     2.9499     1.5278 
   H  15    0.6200     2.8114     1.9624     2.9499     3.0557     2.1652 
   H  16    2.2901     3.1408     3.0937     1.9203     1.2046     1.2046 
   H  17    3.2656     0.6199     1.4963     1.7320     2.5291     4.0618 
   H  18    2.8113     0.6200     1.4255     0.9350     1.7320     3.3740 
   H  19    3.6200     1.4158     1.7000     2.8161     3.5955     4.7658 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7846     0.0000 
   H  15    1.5278     0.7971     0.0000 
   H  16    1.9203     2.4959     2.9097     0.0000 
   H  17    4.1032     3.8856     3.4208     3.5956     0.0000 
   H  18    3.5152     3.4208     3.0945     2.8161     0.7971     0.0000 
   H  19    4.6187     4.2080     3.5651     4.5380     1.2046     1.9203 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   O   1   -0.3717855893
   O   2   -0.3924143606
   N   3   -0.3112838206
   C   4    0.0941067424
   C   5    0.0244502360
   C   6    0.0194695551
   C   7    0.0606466290
   C   8    0.0715820378
   H   9    0.0631521727
   H  10    0.0450095069
   H  11    0.0450095069
   H  12    0.0446487363
   H  13    0.0446487363
   H  14    0.0572491396
   H  15    0.0572491396
   H  16    0.1221078982
   H  17    0.0583232329
   H  18    0.0583232329
   H  19    0.2095072678


BOND ANGLES
   4    1    7   C3   O3   C3    119.999
   8    2   19   C3   O3   HO    120.002
   5    3    6   C3   N3   C3    119.999
   5    3   16   C3   N3   HC    120.001
   6    3   16   C3   N3   HC    120.001
   1    4    5   O3   C3   C3    120.001
   1    4    8   O3   C3   C3    120.001
   1    4    9   O3   C3   HC     59.999
   5    4    8   C3   C3   C3    119.998
   5    4    9   C3   C3   HC    179.974
   8    4    9   C3   C3   HC     60.002
   3    5    4   N3   C3   C3    120.001
   3    5   10   N3   C3   HC    160.002
   3    5   11   N3   C3   HC     80.004
   4    5   10   C3   C3   HC     79.997
   4    5   11   C3   C3   HC    159.996
  10    5   11   HC   C3   HC     79.999
   3    6    7   N3   C3   C3    120.001
   3    6   12   N3   C3   HC     80.004
   3    6   13   N3   C3   HC    160.002
   7    6   12   C3   C3   HC    159.996
   7    6   13   C3   C3   HC     79.997
  12    6   13   HC   C3   HC     79.999
   1    7    6   O3   C3   C3    120.001
   1    7   14   O3   C3   HC    160.002
   1    7   15   O3   C3   HC     80.004
   6    7   14   C3   C3   HC     79.997
   6    7   15   C3   C3   HC    159.996
  14    7   15   HC   C3   HC     79.999
   2    8    4   O3   C3   C3    119.998
   2    8   17   O3   C3   HC     79.995
   2    8   18   O3   C3   HC    160.004
   4    8   17   C3   C3   HC    160.007
   4    8   18   C3   C3   HC     79.998
  17    8   18   HC   C3   HC     80.009


TORSION ANGLES
   7    1    4    5      0.026
   7    1    4    8    179.974
   7    1    4    9    179.974
   4    1    7    6      0.026
   4    1    7   14    179.974
   4    1    7   15    179.974
  19    2    8    4    179.974
  19    2    8   17      0.026
  19    2    8   18      0.026
   6    3    5    4      0.026
   6    3    5   10    179.974
   6    3    5   11    179.974
  16    3    5    4    179.974
  16    3    5   10      0.026
  16    3    5   11      0.026
   5    3    6    7      0.026
   5    3    6   12    179.974
   5    3    6   13    179.974
  16    3    6    7    179.974
  16    3    6   12      0.026
  16    3    6   13      0.026
   1    4    5    3      0.026
   1    4    5   10    179.974
   1    4    5   11    179.974
   8    4    5    3    179.974
   8    4    5   10      0.026
   8    4    5   11      0.026
   9    4    5    3    180.000
   9    4    5   10    180.000
   9    4    5   11    180.000
   1    4    8    2      0.026
   1    4    8   17    179.974
   1    4    8   18    179.974
   5    4    8    2    179.974
   5    4    8   17      0.026
   5    4    8   18      0.026
   9    4    8    2      0.026
   9    4    8   17    179.974
   9    4    8   18    179.974
   3    6    7    1      0.026
   3    6    7   14    179.974
   3    6    7   15    179.974
  12    6    7    1    179.974
  12    6    7   14      0.026
  12    6    7   15      0.026
  13    6    7    1    179.974
  13    6    7   14      0.026
  13    6    7   15      0.026


CHIRAL ATOMS
  13    6    7   15      0.026