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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
37367
Molecular Scaffold
divH@NAJYerjyajjjhhRSET@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C(C1)C[C@@H]2O[C@H]1[C@@H]1N[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-2-4-6-7(8-6)5(3-1)9-4/h4-8H,1-3H2/t4-,5+,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZSILAGFZBXGPCR-VZFHVOOUSA-N