Geometry & MOs

Info

ID:	1794
PubChem CID:	5057
Reduced:	OC11H16 (2)
Stoich.:	AB11C16 (2)
Weight, g/mol:	328.24023
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	3.27
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C

DOS

IR

Vibrations