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(2R)-2-phenylpyrrolidine
(2R)-2-phenylpyrrolidine ID: AN-40169
CAS:56523-47-8
Supplier:AN PharmaTech Co Ltd

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SMILES:N1[C@H](CCC1)c1ccccc1	1520807
FORMULA: C10H13N
MASS: 147.2169
EXACT MASS: 147.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.0001     0.0000 
   C   3    1.6181     1.0000     0.0000 
   C   4    1.6181     1.6180     0.9999     0.0000 
   C   5    1.0000     1.6180     1.6180     1.0000     0.0000 
   C   6    1.7821     1.0000     1.7820     2.5876     2.5876     0.0000 
   C   7    2.0886     1.7321     2.6767     3.3317     3.0608     1.0001 
   C   8    2.6767     1.7320     2.0886     3.0608     3.3317     1.0000 
   C   9    3.0883     2.6458     3.5129     4.2636     4.0554     1.7321 
   C  10    3.5129     2.6457     3.0883     4.0553     4.2636     1.7320 
   C  11    3.6779     3.0000     3.6779     4.5663     4.5663     2.0000 
   H  12    1.6154     0.6200     0.9064     1.8211     2.1026     0.9063 
   H  13    2.0015     1.1202     0.6201     1.6116     2.1989     1.5350 
   H  14    2.1990     1.6116     0.6200     1.1202     2.0014     2.2972 
   H  15    2.1989     2.0013     1.1201     0.6199     1.6116     2.8880 
   H  16    2.0014     2.1989     1.6116     0.6200     1.1202     3.1853 
   H  17    1.6116     2.1989     2.0014     1.1202     0.6200     3.1853 
   H  18    1.1201     2.0014     2.1989     1.6117     0.6200     2.8881 
   H  19    0.6200     1.4537     2.2160     2.2160     1.4537     1.9763 
   H  20    1.8744     1.8397     2.8379     3.3268     2.8743     1.4158 
   H  21    2.8379     1.8396     1.8744     2.8743     3.3268     1.4157 
   H  22    3.4493     3.1408     4.0544     4.7469     4.4416     2.2901 
   H  23    4.0544     3.1407     3.4493     4.4415     4.7469     2.2900 
   H  24    4.2849     3.6200     4.2849     5.1830     5.1830     2.6200 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0000     1.0000     1.7321     0.0000 
   C  11    1.7321     1.7320     1.0001     1.0000     0.0000 
   H  12    1.8700     1.2582     2.6332     2.2406     2.7741     0.0000 
   H  13    2.5190     1.5713     3.2322     2.5633     3.2495     0.6569 
   H  14    3.2403     2.3947     4.0223     3.3785     4.0788     1.3910 
   H  15    3.7316     3.1768     4.6109     4.1746     4.7970     2.0264 
   H  16    3.8801     3.6807     4.8339     4.6753     5.1737     2.4397 
   H  17    3.6807     3.8801     4.6753     4.8338     5.1737     2.6294 
   H  18    3.1768     3.7316     4.1746     4.6109     4.7971     2.5596 
   H  19    1.9696     2.9537     2.9448     3.6765     3.6729     2.0654 
   H  20    0.6200     2.2901     1.4158     2.6200     2.2901     2.1561 
   H  21    2.2901     0.6200     2.6200     1.4158     2.2900     1.2445 
   H  22    1.4158     2.6200     0.6200     2.2901     1.4158     3.1964 
   H  23    2.6200     1.4158     2.2901     0.6200     1.4157     2.6677 
   H  24    2.2901     2.2901     1.4158     1.4158     0.6200     3.3839 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8297     0.0000 
   H  15    1.6169     0.8704     0.0000 
   H  16    2.2129     1.6169     0.8297     0.0000 
   H  17    2.6163     2.2380     1.6169     0.8704     0.0000 
   H  18    2.7509     2.6163     2.2129     1.6170     0.8298     0.0000 
   H  19    2.5413     2.8094     2.8093     2.5413     2.0058     1.3046 
   H  20    2.8107     3.4409     3.8031     3.8172     3.4826     2.8730 
   H  21    1.2729     2.0301     2.8730     3.4825     3.8171     3.8031 
   H  22    3.8137     4.5871     5.1329     5.2947     5.0588     4.4875 
   H  23    2.8749     3.6500     4.4875     5.0588     5.2947     5.1329 
   H  24    3.8376     4.6672     5.4022     5.7918     5.7918     5.4022 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.5862     0.0000 
   H  21    3.2195     2.8059     0.0000 
   H  22    3.2062     1.6200     3.2400     0.0000 
   H  23    4.2578     3.2400     1.6200     2.8059     0.0000 
   H  24    4.2528     2.8059     2.8059     1.6200     1.6199     0.0000 




ATOMIC CHARGES
   N   1   -0.3093020855
   C   2    0.0328994344
   C   3   -0.0322678689
   C   4   -0.0387060445
   C   5   -0.0035029605
   C   6   -0.0304824703
   C   7   -0.0570812852
   C   8   -0.0570812852
   C   9   -0.0614517543
   C  10   -0.0614517543
   C  11   -0.0617404459
   H  12    0.0509889496
   H  13    0.0283887733
   H  14    0.0283887733
   H  15    0.0278068356
   H  16    0.0278068356
   H  17    0.0424157948
   H  18    0.0424157948
   H  19    0.1225066166
   H  20    0.0620788235
   H  21    0.0620788235
   H  22    0.0617670695
   H  23    0.0617670695
   H  24    0.0617583604


BOND ANGLES
   2    1    5   C3   N3   C3    107.992
   2    1   19   C3   N3   HC    126.000
   5    1   19   C3   N3   HC    126.008
   1    2    3   N3   C3   C3    108.001
   1    2    6   N3   C3  Car    125.998
   1    2   12   N3   C3   HC    171.005
   3    2    6   C3   C3  Car    126.001
   3    2   12   C3   C3   HC     63.004
   6    2   12  Car   C3   HC     62.997
   2    3    4   C3   C3   C3    108.001
   2    3   13   C3   C3   HC     83.996
   2    3   14   C3   C3   HC    167.992
   4    3   13   C3   C3   HC    168.003
   4    3   14   C3   C3   HC     84.007
  13    3   14   HC   C3   HC     83.996
   3    4    5   C3   C3   C3    108.000
   3    4   15   C3   C3   HC     84.000
   3    4   16   C3   C3   HC    167.999
   5    4   15   C3   C3   HC    167.999
   5    4   16   C3   C3   HC     84.001
  15    4   16   HC   C3   HC     83.999
   1    5    4   N3   C3   C3    108.006
   1    5   17   N3   C3   HC    167.994
   1    5   18   N3   C3   HC     83.993
   4    5   17   C3   C3   HC     84.001
   4    5   18   C3   C3   HC    168.001
  17    5   18   HC   C3   HC     84.001
   2    6    7   C3  Car  Car    119.998
   2    6    8   C3  Car  Car    120.001
   7    6    8  Car  Car  Car    120.001
   6    7    9  Car  Car  Car    119.998
   6    7   20  Car  Car   HC    120.000
   9    7   20  Car  Car   HC    120.002
   6    8   10  Car  Car  Car    120.001
   6    8   21  Car  Car   HC    119.998
  10    8   21  Car  Car   HC    120.002
   7    9   11  Car  Car  Car    119.998
   7    9   22  Car  Car   HC    120.002
  11    9   22  Car  Car   HC    120.000
   8   10   11  Car  Car  Car    120.001
   8   10   23  Car  Car   HC    120.002
  11   10   23  Car  Car   HC    119.998
   9   11   10  Car  Car  Car    120.001
   9   11   24  Car  Car   HC    119.998
  10   11   24  Car  Car   HC    120.001


TORSION ANGLES
   5    1    2    3      0.026
   5    1    2    6    179.974
   5    1    2   12      0.026
  19    1    2    3    179.974
  19    1    2    6      0.026
  19    1    2   12    179.974
   2    1    5    4      0.026
   2    1    5   17    179.974
   2    1    5   18    179.974
  19    1    5    4    179.974
  19    1    5   17      0.026
  19    1    5   18      0.026
   1    2    3    4      0.026
   1    2    3   13    179.974
   1    2    3   14    179.974
   6    2    3    4    179.974
   6    2    3   13      0.026
   6    2    3   14      0.026
  12    2    3    4    179.974
  12    2    3   13      0.026
  12    2    3   14      0.026
   1    2    6    7      0.026
   1    2    6    8    179.974
   3    2    6    7    179.974
   3    2    6    8      0.026
  12    2    6    7    179.974
  12    2    6    8      0.026
   2    3    4    5      0.026
   2    3    4   15    179.974
   2    3    4   16    179.974
  13    3    4    5    179.974
  13    3    4   15      0.026
  13    3    4   16      0.026
  14    3    4    5    179.974
  14    3    4   15      0.026
  14    3    4   16      0.026
   3    4    5    1      0.026
   3    4    5   17    179.974
   3    4    5   18    179.974
  15    4    5    1    179.974
  15    4    5   17      0.026
  15    4    5   18      0.026
  16    4    5    1    179.974
  16    4    5   17      0.026
  16    4    5   18      0.026
   2    6    7    9    179.974
   2    6    7   20      0.026
   8    6    7    9      0.026
   8    6    7   20    179.974
   2    6    8   10    179.974
   2    6    8   21      0.026
   7    6    8   10      0.026
   7    6    8   21    179.974
   6    7    9   11      0.026
   6    7    9   22    179.974
  20    7    9   11    179.974
  20    7    9   22      0.026
   6    8   10   11      0.026
   6    8   10   23    179.974
  21    8   10   11    179.974
  21    8   10   23      0.026
   7    9   11   10      0.026
   7    9   11   24    179.974
  22    9   11   10    179.974
  22    9   11   24      0.026
   8   10   11    9      0.026
   8   10   11   24    179.974
  23   10   11    9    179.974
  23   10   11   24      0.026


CHIRAL ATOMS
  23   10   11   24      0.026