Geometry & MOs

Info

ID:

232174

PubChem CID:

87575643

Reduced:

O2C22H39 (2)

Stoich.:

A2B22C39 (2)

Weight, g/mol:

1018.368446

ΔHf, kcal/mol:

-268.2

Dipole, Da:

11.04

IP(EA), eV:

 -9.46(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 -6

Chem-info

IUPAC name:

1-[4-[3-[4-(1-hydroxyprop-2-enyl)phenyl]-4,5-diphenylcyclopenta-1,3-dien-1-yl]phenyl]prop-2-en-1-ol;1-[4-[4-[4-(1-hydroxyprop-2-enyl)phenyl]-2,3-diphenylcyclopentyl]phenyl]prop-2-en-1-ol;iron

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC=CC=CC(=O)O.CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations