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January 28, 2026
C5H10N2O
Datos Químicos de C5H10N2O
ID
11546
Molecular Scaffold
eO@Hyj@
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
CNC(NC1CC1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2O/c1-6-5(8)7-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WIWZBGUEDUUYBD-UHFFFAOYSA-N