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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
39633
Molecular Scaffold
divH@AAJ]iSFGajjjh@@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C1OCC1C1(C2)CN2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-6(2-9-1)7-3-8(4-7)5-7/h6H,1-5H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FGOFSSWRTRWJOT-UHFFFAOYSA-N