Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
109256
Molecular Scaffold
dnF@@@ReVDijjiRDd@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
OCC1=CC[C@H]2N[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-4-5-1-2-6-7(3-5)8-6/h1,6-9H,2-4H2/t6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MWKLJQCDZOGELW-RNFRBKRXSA-N