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January 28, 2026
C4H8N2O2
Datos Químicos de C4H8N2O2
ID
7310
Molecular Formula
C4H8N2O2
Elemental Composition %
C: 25%
H: 50%
O: 12.5%
N: 12.5%
Weight
116.12
Programa de Cálculo
G16
SMILES
C[C@H](C(N)=O)OC=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N2O2/c1-3(4(6)7)8-2-5/h2-3,5H,1H3,(H2,6,7)/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MWFGOTOQSJFROI-GSVOUGTGSA-N