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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
54832
Molecular Scaffold
gJx@@eKEcUUE@@
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@]1([C@H]2CC1)N2C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c1-6-3-2-4(6)8(6)5(7)9/h4H,2-3H2,1H3,(H2,7,9)/t4-,6-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CVFBNJHZYXHLSV-WGFRLMHRSA-N