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Ethyl (R)-(-)-2-pyrrolidone-5-carboxylate
Ethyl (R)-(-)-2-pyrrolidone-5-carboxylate
ID: BP-12289
CAS:68766-96-1
Supplier:BroadPharm

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SMILES:N1C(=O)CC[C@@H]1C(=O)OCC	
FORMULA: C7H11NO3
MASS: 157.1671
EXACT MASS: 157.0738932
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4150     0.0000 
   C   3    1.4191     2.3095     0.0000 
   C   4    2.5153     3.6617     1.3944     0.0000 
   O   5    2.9572     4.3361     2.4402     1.4229     0.0000 
   O   6    2.5317     1.4165     3.6841     4.9858     5.4644     0.0000 
   C   7    2.2897     2.3078     1.4229     2.5089     3.7859     3.6804 
   C   8    2.2425     1.3806     2.2767     3.6324     4.6858     2.4984 
   O   9    3.7855     4.7255     2.4415     1.4122     2.4438     6.1196 
   C  10    4.9834     6.0555     3.7462     2.4695     2.8398     7.4213 
   C  11    6.2388     7.1854     4.9105     3.7664     4.2621     8.5856 

              C   7      C   8      O   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.4250     0.0000 
   O   9    2.9541     4.3287     0.0000 
   C  10    4.3773     5.7441     1.4233     0.0000 
   C  11    5.2530     6.6730     2.4690     1.4223     0.0000 



ATOMIC CHARGES
   N   1   -0.1957337561
   C   2    0.2418882311
   C   3    0.1939056748
   C   4    0.3369962126
   O   5   -0.2481956015
   O   6   -0.2733297629
   C   7    0.0427361465
   C   8    0.0891811357
   O   9   -0.4473304188
   C  10    0.2086111287
   C  11    0.0512710099


BOND ANGLES
   2    1    3   C2  Nam   C3    109.156
   1    2    6  Nam   C2   O2    126.783
   1    2    8  Nam   C2   C3    106.664
   6    2    8   O2   C2   C3    126.553
   1    3    4  Nam   C3   C2    126.764
   1    3    7  Nam   C3   C3    107.352
   4    3    7   C2   C3   C3    125.884
   3    4    5   C3   C2   O2    120.024
   3    4    9   C3   C2   O3    120.896
   5    4    9   O2   C2   O3    119.080
   3    7    8   C3   C3   C3    106.151
   2    8    7   C2   C3   C3    110.677
   4    9   10   C2   O3   C3    121.134
   9   10   11   O3   C3   C3    120.376


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


CHIRAL ATOMS
   2    8    7    3      0.026