Geometry & MOs

Info

ID:

427840

PubChem CID:

135164157

Reduced:

FO8C34H37 (1)

Stoich.:

AB8C34D37 (1)

Weight, g/mol:

622.350569

ΔHf, kcal/mol:

-320.75

Dipole, Da:

2.35

IP(EA), eV:

 -9.04(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-ethyl-4-(4-heptylcyclohexyl)phenyl]-2-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)CCCCF)C3=CC(=CC(=C3)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations