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ID: Supplier:Focus Synthesis LLC. SMILES:C(=O)(NCCN)C FORMULA: C4H10N2O
MASS: 102.1350
EXACT MASS: 102.0793130
INTERATOMIC DISTANCES
C 1 O 2 N 3 N 4 C 5 C 6
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C 1 0.0000
O 2 0.8250 0.0000
N 3 0.8250 1.4362 0.0000
N 4 2.4508 2.5388 1.8308 0.0000
C 5 0.8240 1.4245 1.4244 3.2114 0.0000
C 6 1.2970 1.4505 0.8219 1.1590 2.0821 0.0000
C 7 1.9119 2.2493 1.1539 0.8276 2.5783 0.8266
C 7
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C 7 0.0000
ATOMIC CHARGES
C 1 0.2419146411
O 2 -0.2733287704
N 3 -0.2038168776
N 4 -0.1294393927
C 5 0.0964245583
C 6 0.1355867369
C 7 0.1326591044
BOND ANGLES
TORSION ANGLES
6 3 1 2 0.026
6 3 1 5 179.974
7 6 3 1 179.974
4 7 6 3 179.974
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