Geometry & MOs

Info

ID:	299568
PubChem CID:	117687794
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-63.72
Dipole, Da:	2.05
IP(EA), eV:	-9.35(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(hydroxymethyl)-3-methylcyclohex-3-en-1-yl]pentan-3-ol

Drug info:

PubChemData

Smile

CCC1(C2CC=CC(C2CO1)C)CC

DOS

IR

Vibrations