Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
47892
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
O=C1[CH][CH]NCCCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-7-3-1-2-5-8-6-4-7/h4,6,8H,1-3,5H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UUQISCOKTMDWPK-UHFFFAOYSA-N