Geometry & MOs

Info

ID:

3220

PubChem CID:

9347

Reduced:

O2C22H33 (2)

Stoich.:

A2B22C33 (2)

Weight, g/mol:

658.496111

ΔHf, kcal/mol:

-147.36

Dipole, Da:

3.87

IP(EA), eV:

 -8.99(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

DOS

IR

Vibrations