Geometry & MOs

Info

ID:	446649
PubChem CID:	135276646
Reduced:	OC21H32 (1)
Stoich.:	AB21C32 (1)
Weight, g/mol:	286.229666
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	1.0
IP(EA), eV:	-8.32(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC2=C(C=CC(=C2)C(C)C)OC

DOS

IR

Vibrations