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2-Methyl-1-pyrroline
2-Methyl-1-pyrroline ID: API-42678
CAS:872-32-2
Supplier:APIchem

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SMILES:N1=C(CCC1)C	ChemMol.com
FORMULA: C5H9N
MASS: 83.1317
EXACT MASS: 83.0734993
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.6180     0.0000 
   C   3    1.6180     1.0000     0.0000 
   C   4    1.0000     0.9999     1.6180     0.0000 
   C   5    1.0000     1.6180     0.9999     1.6180     0.0000 
   C   6    1.7820     2.5876     1.7821     2.5876     1.0001     0.0000 
   H   7    2.1989     0.6200     1.1202     1.6116     2.0014     2.8881 
   H   8    2.0013     0.6199     1.6116     1.1201     2.1988     3.1853 
   H   9    2.0014     1.6117     0.6200     2.1989     1.1201     1.5351 
   H  10    2.1989     1.1202     0.6200     2.0014     1.6116     2.2973 
   H  11    1.6116     1.1202     2.0014     0.6200     2.1989     3.1853 
   H  12    1.1202     1.6116     2.1989     0.6201     2.0014     2.8881 
   H  13    1.5990     2.7749     2.1361     2.5417     1.1766     0.6200 
   H  14    2.3514     3.1982     2.3514     3.1982     1.6201     0.6200 
   H  15    2.1362     2.5417     1.5990     2.7749     1.1766     0.6200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8297     0.0000 
   H   9    1.6170     2.2129     0.0000 
   H  10    0.8704     1.6169     0.8298     0.0000 
   H  11    1.6169     0.8704     2.6163     2.2380     0.0000 
   H  12    2.2129     1.6169     2.7509     2.6163     0.8297     0.0000 
   H  13    3.1776     3.3272     2.0318     2.7142     3.1608     2.7117 
   H  14    3.4690     3.8004     2.0109     2.8184     3.8005     3.4690 
   H  15    2.7118     3.1608     1.1633     1.9890     3.3272     3.1777 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    0.8769     0.0000 
   H  15    1.2400     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.2927268249
   C   2   -0.0283454710
   C   3   -0.0133211181
   C   4    0.0399220967
   C   5    0.0104584654
   C   6   -0.0266849495
   H   7    0.0286406602
   H   8    0.0286406602
   H   9    0.0325303856
   H  10    0.0325303856
   H  11    0.0508056027
   H  12    0.0508056027
   H  13    0.0289148348
   H  14    0.0289148348
   H  15    0.0289148348


BOND ANGLES
   4    1    5   C3   N2   C2    107.997
   3    2    4   C3   C3   C3    108.000
   3    2    7   C3   C3   HC     84.001
   3    2    8   C3   C3   HC    167.999
   4    2    7   C3   C3   HC    167.999
   4    2    8   C3   C3   HC     84.000
   7    2    8   HC   C3   HC     83.999
   2    3    5   C3   C3   C2    108.000
   2    3    9   C3   C3   HC    168.001
   2    3   10   C3   C3   HC     84.001
   5    3    9   C2   C3   HC     83.999
   5    3   10   C2   C3   HC    167.999
   9    3   10   HC   C3   HC     84.001
   1    4    2   N2   C3   C3    108.001
   1    4   11   N2   C3   HC    167.992
   1    4   12   N2   C3   HC     83.996
   2    4   11   C3   C3   HC     84.007
   2    4   12   C3   C3   HC    168.003
  11    4   12   HC   C3   HC     83.996
   1    5    3   N2   C2   C3    108.001
   1    5    6   N2   C2   C3    125.995
   3    5    6   C3   C2   C3    126.004
   5    6   13   C2   C3   HC     90.001
   5    6   14   C2   C3   HC    179.974
   5    6   15   C2   C3   HC     89.996
  13    6   14   HC   C3   HC     90.012
  13    6   15   HC   C3   HC    179.974
  14    6   15   HC   C3   HC     89.991


TORSION ANGLES
   5    1    4    2      0.026
   5    1    4   11    179.974
   5    1    4   12    179.974
   4    1    5    3      0.026
   4    1    5    6    179.974
   4    2    3    5      0.026
   4    2    3    9    179.974
   4    2    3   10    179.974
   7    2    3    5    179.974
   7    2    3    9      0.026
   7    2    3   10      0.026
   8    2    3    5    179.974
   8    2    3    9      0.026
   8    2    3   10      0.026
   3    2    4    1      0.026
   3    2    4   11    179.974
   3    2    4   12    179.974
   7    2    4    1    179.974
   7    2    4   11      0.026
   7    2    4   12      0.026
   8    2    4    1    179.974
   8    2    4   11      0.026
   8    2    4   12      0.026
   2    3    5    1      0.026
   2    3    5    6    179.974
   9    3    5    1    179.974
   9    3    5    6      0.026
  10    3    5    1    179.974
  10    3    5    6      0.026
   1    5    6   13      0.026
   1    5    6   14    179.974
   1    5    6   15    179.974
   3    5    6   13    179.974
   3    5    6   14      0.026
   3    5    6   15      0.026