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January 28, 2026
C5H12N2O
Datos Químicos de C5H12N2O
ID
10347
Molecular Formula
C5H12N2O
Elemental Composition %
C: 25%
H: 60%
O: 5%
N: 10%
Weight
116.163
Programa de Cálculo
G16
SMILES
CCN(CC)C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TUMNHQRORINJKE-UHFFFAOYSA-N