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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
41913
Molecular Scaffold
divH@FAJYUifGajjjkHUPX@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C(C1)[C@@H]2N3[C@@H]2CO[C@@H]1C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-2-6-7-4-9-5(1)3-8(6)7/h5-7H,1-4H2/t5-,6-,7-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WANXFGABBMFNST-FKMOCYPUSA-N