Geometry & MOs

Info

ID:

432535

PubChem CID:

135172668

Reduced:

F3O8C37H47 (1)

Stoich.:

A3B8C37D47 (1)

Weight, g/mol:

648.291003

ΔHf, kcal/mol:

-477.65

Dipole, Da:

0.71

IP(EA), eV:

 -8.54(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-ethyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]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)OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO)C3CCC(CC3)CCCCC(F)(F)F

DOS

IR

Vibrations