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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
38721
Molecular Scaffold
divH@AAJYWif{ajjjkHSKh@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C1[C@@H](C2)OCC[C@@]22N[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-2-9-5-3-6-7(1,4-5)8-6/h5-6,8H,1-4H2/t5-,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FGQHHMBFYKDSKQ-LYFYHCNISA-N