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