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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
87692
Molecular Scaffold
dnEH@DhDfVpjYjjhr@@
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@]1(CN1C)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c1-4-6(7-4)3-8(2)5(6)9/h4,7H,3H2,1-2H3/t4-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PWVGKPPRQCZVGO-NJGYIYPDSA-N