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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
68293
Molecular Scaffold
daVH@BAJ^YLijzjjjSDT@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@]1(C2)[C@@]3(COC3)N2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-6-2-8(3-6)7(6)4-9-5-7/h2-5H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MIRSHDHEGHJZMF-UHFFFAOYSA-N