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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
23606
Molecular Scaffold
dae@@@KHhhYaMsUUTI@@
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=C1/[C@H](C2CC2)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c9-8-5-3-7-6(5)4-1-2-4/h4,6-7,9H,1-3H2/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WIXGMWIRQTZHNI-LURJTMIESA-N