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C5H10N2O

Datos Químicos de C5H10N2O

ID

6326

Molecular Formula

C5H10N2O

Elemental Composition %

C: 27.7777777777778%
H: 55.5555555555556%
O: 5.55555555555556%
N: 11.1111111111111%

Weight

114.147

Programa de Cálculo

G16

SMILES

C/C(/NC(C)=O)=NC

Nivel de Teoría

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

InChI

InChI=1S/C5H10N2O/c1-4(6-3)7-5(2)8/h1-3H3,(H,6,7,8)

Calculation Keys

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

InChIKey

HWDFJPGGTPBNFX-UHFFFAOYSA-N

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