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(S)-N-Benzyl-3-hydroxypyrrolidine
(S)-N-Benzyl-3-hydroxypyrrolidine ID: CHH16009
CAS:101385-90-4
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(C[C@H](CC1)O)Cc1ccccc1	
FORMULA: C11H15NO
MASS: 177.2429
EXACT MASS: 177.1153641
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7483     0.0000 
   C   3    1.2108     0.7483     0.0000 
   C   4    1.2107     1.2107     0.7483     0.0000 
   C   5    0.7482     1.2107     1.2107     0.7483     0.0000 
   O   6    1.9363     1.3335     0.7483     1.3335     1.9363     0.0000 
   C   7    0.7484     1.3335     1.9363     1.9363     1.3335     2.6342 
   C   8    1.2961     2.0030     2.4931     2.2903     1.5628     3.2293 
   C   9    1.4966     2.2421     2.5296     2.1116     1.3743     3.2754 
   C  10    2.2449     2.9902     3.2474     2.7633     2.0575     3.9873 
   C  11    2.6980     3.4408     3.8090     3.4057     2.6704     4.5571 
   C  12    2.5922     3.2899     3.7849     3.5192     2.7721     4.5240 
   C  13    1.9799     2.6287     3.1905     3.0346     2.3110     3.9112 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7483     0.0000 
   C   9    1.2960     0.7482     0.0000 
   C  10    1.9798     1.2961     0.7484     0.0000 
   C  11    2.2448     1.4966     1.2961     0.7483     0.0000 
   C  12    1.9798     1.2961     1.4966     1.2960     0.7482     0.0000 
   C  13    1.2961     0.7484     1.2961     1.4966     1.2960     0.7483 

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



ATOMIC CHARGES
   N   1   -0.2667143419
   C   2    0.1056312416
   C   3    0.1692638583
   C   4    0.0516566235
   C   5    0.0751118801
   O   6   -0.2216050346
   C   7    0.0992080918
   C   8   -0.0061408241
   C   9   -0.0029175339
   C  10   -0.0002787537
   C  11   -0.0000189196
   C  12   -0.0002787537
   C  13   -0.0029175339


BOND ANGLES
   2    1    5   C3   N3   C3    108.004
   2    1    7   C3   N3   C3    125.996
   5    1    7   C3   N3   C3    126.001
   1    2    3   N3   C3   C3    107.996
   2    3    4   C3   C3   C3    107.996
   2    3    6   C3   C3   O3    126.001
   4    3    6   C3   C3   O3    126.004
   3    4    5   C3   C3   C3    108.003
   1    5    4   N3   C3   C3    108.002
   1    7    8   N3   C3  Car    119.994
   7    8    9   C3  Car  Car    120.005
   7    8   13   C3  Car  Car    119.994
   9    8   13  Car  Car  Car    120.001
   8    9   10  Car  Car  Car    120.001
   9   10   11  Car  Car  Car    119.994
  10   11   12  Car  Car  Car    120.005
  11   12   13  Car  Car  Car    120.005
   8   13   12  Car  Car  Car    119.994


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


CHIRAL ATOMS
   5    1    7    8      0.026