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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
83046
Molecular Scaffold
dnFH@LAJVRhfijiDaH@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@H]1[C@H]2OC=N[C@@H](C)[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-4-6-5(2)8-3-9-7(4)6/h3-7H,1-2H3/t4-,5+,6+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TWZQRGVEWVYSIO-BDVNFPICSA-N