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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
23352
Molecular Scaffold
dae@@@IIg[B[fjj`@
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
ON=C(C1)CN1C1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c9-7-5-3-8(4-5)6-1-2-6/h6,9H,1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RVDRQJLJGOHOJQ-UHFFFAOYSA-N