Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
101059
Molecular Scaffold
eO@Hyj@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
CC[C@H](C1(CC1)C#N)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-2-6(9)7(5-8)3-4-7/h6,9H,2-4H2,1H3/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QMSDBAGVPAHJGA-ZCFIWIBFSA-N