Geometry & MOs

Info

ID:

432422

PubChem CID:

135172555

Reduced:

F3O8C37H41 (1)

Stoich.:

A3B8C37D41 (1)

Weight, g/mol:

692.259703

ΔHf, kcal/mol:

-440.48

Dipole, Da:

2.75

IP(EA), eV:

 -8.95(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-ethyl-4-[6-(5,5,5-trifluoropentyl)naphthalen-2-yl]phenyl]-2-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)CCC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations