Geometry & MOs

Info

ID:

432427

PubChem CID:

135172560

Reduced:

FO3C12H13 (3)

Stoich.:

AB3C12D13 (3)

Weight, g/mol:

670.275353

ΔHf, kcal/mol:

-468.72

Dipole, Da:

4.61

IP(EA), eV:

 -9.09(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)OCC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations