Geometry & MOs

Info

ID:

432449

PubChem CID:

135172582

Reduced:

F3O6C35H41 (1)

Stoich.:

A3B6C35D41 (1)

Weight, g/mol:

580.228403

ΔHf, kcal/mol:

-389.32

Dipole, Da:

4.52

IP(EA), eV:

 -9.05(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-ethyl-4-(5,5,5-trifluoropentyl)phenyl]-5-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CCC(CC3)CCCCC(F)(F)F)CCOC(=O)C(=C)CO

DOS

IR

Vibrations