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C5H8N2O2

Datos Químicos de C5H8N2O2

ID

55671

Molecular Formula

C5H8N2O2

Elemental Composition %

C: 29.4117647058824%
H: 47.0588235294118%
O: 11.7647058823529%
N: 11.7647058823529%

Weight

128.131

Programa de Cálculo

G16

SMILES

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

Nivel de Teoría

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

InChI

InChI=1S/C5H8N2O2/c1-5(9)2-7(3-6)4-8/h3-4,6H,2H2,1H3

Calculation Keys

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

InChIKey

ULKSEYIDMMOJHU-UHFFFAOYSA-N

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