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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
76607
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C6H10N2O
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 5.26315789473684%
N: 10.5263157894737%
Weight
126.158
Programa de Cálculo
G16
SMILES
C[C@H]1N([C@@](C=O)[NH])[C@H]1C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11N2O/c1-4-5(2)8(4)6(7)3-9/h3-7H,1-2H3/t4-,5+,6-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XXEBTCBBOMDSGK-QFZFJQMPSA-N