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pyrrolidin-3-ol hydrochloride
pyrrolidin-3-ol hydrochloride ID: AN-13956
CAS:86070-82-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.OC1CCNC1	2769408
FORMULA: C4H10ClNO
MASS: 123.5813
EXACT MASS: 123.0450916
INTERATOMIC DISTANCES

             Cl   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    3.1222     0.0000 
   N   3    5.4373     2.5877     0.0000 
   C   4    3.8754     1.0000     1.6181     0.0000 
   C   5    4.0023     1.7820     1.6181     1.0000     0.0000 
   C   6    4.8364     1.7820     1.0000     1.0000     1.6180     0.0000 
   C   7    5.0009     2.5876     1.0000     1.6180     1.0000     1.6180 
   H   8    3.3349     0.9064     2.1027     0.6200     0.9063     1.6153 
   H   9    3.3903     1.5351     2.1990     1.1202     0.6200     2.0014 
   H  10    4.0764     2.2973     2.0015     1.6117     0.6200     2.1990 
   H  11    5.3990     2.2972     1.1202     1.6116     2.1989     0.6200 
   H  12    4.6573     1.5351     1.6116     1.1202     2.0014     0.6200 
   H  13    4.9438     2.8881     1.6116     2.0014     1.1202     2.1989 
   H  14    5.6024     3.1853     1.1202     2.1989     1.6116     2.0014 
   H  15    6.0550     3.1610     0.6200     2.2160     2.2160     1.4537 
   H  16    2.5224     0.6200     3.0317     1.4158     1.9172     2.3267 
   H  17    1.0000     3.4531     5.4373     4.0023     3.8754     5.0009 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    1.8211     0.0000 
   H   9    1.6116     0.6568     0.0000 
   H  10    1.1202     1.3910     0.8298     0.0000 
   H  11    2.0014     2.2303     2.6163     2.7509     0.0000 
   H  12    2.1989     1.7042     2.2380     2.6163     0.8297     0.0000 
   H  13    0.6200     2.0264     1.6169     0.8704     2.6162     2.7508 
   H  14    0.6200     2.4397     2.2129     1.6169     2.2380     2.6162 
   H  15    1.4537     2.7201     2.8094     2.5413     1.3047     2.0058 
   H  16    2.8491     1.0287     1.4801     2.3077     2.8774     2.1434 
   H  17    4.8364     3.3998     3.2594     3.7953     5.6024     4.9438 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    0.8297     0.0000 
   H  15    2.0058     1.3047     0.0000 
   H  16    3.0317     3.4669     3.6317     0.0000 
   H  17    4.6573     5.3990     6.0550     2.8344     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
   O   2   -0.3904888004
   N   3   -0.3134531482
   C   4    0.0688222641
   C   5   -0.0130813580
   C   6    0.0219939424
   C   7   -0.0016333042
   H   8    0.0606203543
   H   9    0.0302749127
   H  10    0.0302749127
   H  11    0.0449245335
   H  12    0.0449245335
   H  13    0.0424807750
   H  14    0.0424807750
   H  15    0.1220272185
   H  16    0.2098323891
   H  17    0.1453996612


BOND ANGLES
   4    2   16   C3   O3   HO    119.997
   6    3    7   C3   N3   C3    107.997
   6    3   15   C3   N3   HC    126.001
   7    3   15   C3   N3   HC    126.001
   2    4    5   O3   C3   C3    126.001
   2    4    6   O3   C3   C3    126.000
   2    4    8   O3   C3   HC     63.004
   5    4    6   C3   C3   C3    107.998
   5    4    8   C3   C3   HC     62.997
   6    4    8   C3   C3   HC    170.995
   4    5    7   C3   C3   C3    107.998
   4    5    9   C3   C3   HC     84.001
   4    5   10   C3   C3   HC    168.001
   7    5    9   C3   C3   HC    168.001
   7    5   10   C3   C3   HC     84.000
   9    5   10   HC   C3   HC     84.001
   3    6    4   N3   C3   C3    108.003
   3    6   11   N3   C3   HC     84.000
   3    6   12   N3   C3   HC    168.001
   4    6   11   C3   C3   HC    167.997
   4    6   12   C3   C3   HC     83.996
  11    6   12   HC   C3   HC     84.000
   3    7    5   N3   C3   C3    108.003
   3    7   13   N3   C3   HC    168.001
   3    7   14   N3   C3   HC     84.000
   5    7   13   C3   C3   HC     83.996
   5    7   14   C3   C3   HC    167.997
  13    7   14   HC   C3   HC     84.000


TORSION ANGLES
  16    2    4    5      0.026
  16    2    4    6    179.974
  16    2    4    8      0.026
   7    3    6    4      0.026
   7    3    6   11    179.974
   7    3    6   12    179.974
  15    3    6    4    179.974
  15    3    6   11      0.026
  15    3    6   12      0.026
   6    3    7    5      0.026
   6    3    7   13    179.974
   6    3    7   14    179.974
  15    3    7    5    179.974
  15    3    7   13      0.026
  15    3    7   14      0.026
   2    4    5    7    179.974
   2    4    5    9      0.026
   2    4    5   10      0.026
   6    4    5    7      0.026
   6    4    5    9    179.974
   6    4    5   10    179.974
   8    4    5    7    179.974
   8    4    5    9      0.026
   8    4    5   10      0.026
   2    4    6    3    179.974
   2    4    6   11      0.026
   2    4    6   12      0.026
   5    4    6    3      0.026
   5    4    6   11    179.974
   5    4    6   12    179.974
   8    4    6    3      0.026
   8    4    6   11    179.974
   8    4    6   12    179.974
   4    5    7    3      0.026
   4    5    7   13    179.974
   4    5    7   14    179.974
   9    5    7    3    179.974
   9    5    7   13      0.026
   9    5    7   14      0.026
  10    5    7    3    179.974
  10    5    7   13      0.026
  10    5    7   14      0.026


CHIRAL ATOMS
  10    5    7   14      0.026