Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO
Datos Químicos de C6H11NO
ID
12011
Molecular Scaffold
gGx@@eJqFuURbT@
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@@]1([C@@H]2N[C@@H]2CC1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO/c1-6(8)3-2-4-5(6)7-4/h4-5,7-8H,2-3H2,1H3/t4-,5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QPRMOYMMEVJVFI-HSUXUTPPSA-N