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H-PRO-NH2
H-PRO-NH2
ID: BP-10428
CAS:7531-52-4
Supplier:BroadPharm

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SMILES:C(=O)([C@H]1NCCC1)N	
FORMULA: C5H10N2O
MASS: 114.1457
EXACT MASS: 114.0793130
INTERATOMIC DISTANCES

              C   1      N   2      C   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    2.5378     0.0000 
   C   3    1.4078     1.4467     0.0000 
   O   4    1.4329     3.8223     2.4551     0.0000 
   N   5    1.4346     2.9921     2.4767     2.4731     0.0000 
   C   6    3.7161     1.4702     2.3509     4.7768     4.4182     0.0000 
   C   7    2.5338     2.3023     1.4173     2.9807     3.8229     2.3011 
   C   8    3.7080     2.3175     2.3372     4.3926     4.7828     1.3907 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.4495     0.0000 



ATOMIC CHARGES
   C   1    0.2765213504
   N   2   -0.2101840296
   C   3    0.1520710875
   O   4   -0.2701437304
   N   5   -0.0865744259
   C   6    0.0892640384
   C   7    0.0282871212
   C   8    0.0207585883


BOND ANGLES
   8    6    2   C3   C3   N3    108.169
   6    2    3   C3   N3   C3    107.399
   2    6    8   N3   C3   C3    108.169
   6    8    7   C3   C3   C3    108.213


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


CHIRAL ATOMS
   C     3 is chiral: clockwise