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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
47653
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
O=C1CNC/C=CCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-7-4-2-1-3-5-8-6-7/h1,3,8H,2,4-6H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YMQNOWZWLSHOSX-UHFFFAOYSA-N