Geometry & MOs

Info

ID:

432541

PubChem CID:

135172674

Reduced:

O5C23H31 (2)

Stoich.:

A5B23C31 (2)

Weight, g/mol:

686.233882

ΔHf, kcal/mol:

-428.35

Dipole, Da:

0.89

IP(EA), eV:

 -8.93(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3,5-bis[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenyl]phenyl] 4-(5,5,5-trifluoropentyl)benzoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)COCO)OCCOC(=O)C(=C)COCO)CC

DOS

IR

Vibrations