Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO
Datos Químicos de C6H11NO
ID
6973
Molecular Scaffold
gKY@LDiZZ@@
Molecular Formula
C6H11NO
Elemental Composition %
C: 31.5789473684211%
H: 57.8947368421053%
O: 5.26315789473684%
N: 5.26315789473684%
Weight
113.159
Programa de Cálculo
G16
SMILES
C[C@H]1N=COC1(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO/c1-5-6(2,3)8-4-7-5/h4-5H,1-3H3/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MOYUYBNWHJFYCA-YFKPBYRVSA-N