Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
92964
Molecular Scaffold
gKP@DiVj@@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@@H](CC=C1)[C@@H]1C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-5-3-2-4-6(5)7(8)9/h2,4-6H,3H2,1H3,(H2,8,9)/t5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LLMSZLBOYSWZPB-NTSWFWBYSA-N