Geometry & MOs

Info

ID:	215880
PubChem CID:	85085381
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	3.84
IP(EA), eV:	-9.63(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,7-dimethyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one

Drug info:

PubChemData

Smile

CC=CC(C(=O)C1CCCCC1)O

DOS

IR

Vibrations