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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
23448
Molecular Scaffold
dae@@@IIfwB[fjjdRE@@
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
O/N=C(C1)/[C@H]2N1CCC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11N2O/c9-7-5-4-8-3-1-2-6(5)8/h6,8-9H,1-4H2/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MJLLKTRCLVPRJE-LURJTMIESA-N