Geometry & MOs

Info

ID:	17933
PubChem CID:	528808
Reduced:	OC14H22 (2)
Stoich.:	AB14C22 (2)
Weight, g/mol:	412.334131
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	4.1
IP(EA), eV:	-8.53(-0.1)
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] octanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

DOS

IR

Vibrations