Geometry & MOs

Info

ID:

4009

PubChem CID:

10580

Reduced:

OC20H26 (2)

Stoich.:

AB20C26 (2)

Weight, g/mol:

564.396731

ΔHf, kcal/mol:

-24.64

Dipole, Da:

2.07

IP(EA), eV:

 -7.95(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C

DOS

IR

Vibrations