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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
93039
Molecular Scaffold
daf@@@Ri]cFzjfjHP@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
O[C@@H]1CN(C2)[C@H]2C=CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-7-3-1-2-6-4-8(6)5-7/h1-2,6-7,9H,3-5H2/t6-,7-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BIUAGNDOWJCVSX-WPZUCAASSA-N