Geometry & MOs

Info

ID:	45597
PubChem CID:	10515393
Reduced:	OC18H26 (1)
Stoich.:	AB18C26 (1)
Weight, g/mol:	258.198365
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	2.04
IP(EA), eV:	-9.03(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]benzene

Drug info:

PubChemData

Smile

CC(=C(CC[C@@H]1C=CCC[C@H]1C(=O)C=C)C(=C)C)C

DOS

IR

Vibrations