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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
107149
Molecular Scaffold
dnfH@JAJUhSBijjjdbY@@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
CC[C@@]1(C2)O[C@@H]1[C@@]21NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-2-7-3-6(4-8-6)5(7)9-7/h5,8H,2-4H2,1H3/t5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RCVVUJCYPMUEPN-ACZMJKKPSA-N