Geometry & MOs

Info

ID:

317952

PubChem CID:

126647975

Reduced:

O4C27H40 (1)

Stoich.:

A4B27C40 (1)

Weight, g/mol:

528.308704

ΔHf, kcal/mol:

-188.61

Dipole, Da:

2.54

IP(EA), eV:

 -8.13(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[(3E,7E)-13-hydroxy-12-(hydroxymethyl)-4,8-dimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-yl]oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OC(CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(CO)CO)O

DOS

IR

Vibrations