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C5H10N2O2

Datos Químicos de C5H10N2O2

ID

102418

Molecular Formula

C5H10N2O2

Elemental Composition %

C: 26.3157894736842%
H: 52.6315789473684%
O: 10.5263157894737%
N: 10.5263157894737%

Weight

130.146

Programa de Cálculo

G16

SMILES

CN/C(/OC)=N/CC=O

Nivel de Teoría

B3LYP/6-31G(2df, p)

InChI

InChI=1S/C5H10N2O2/c1-6-5(9-2)7-3-4-8/h4H,3H2,1-2H3,(H,6,7)

Calculation Keys

# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx

InChIKey

LRPBLLPSNNTDDJ-UHFFFAOYSA-N

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