Geometry & MOs

Info

ID:

432410

PubChem CID:

135172543

Reduced:

O4C19H26 (2)

Stoich.:

A4B19C26 (2)

Weight, g/mol:

676.322303

ΔHf, kcal/mol:

-337.89

Dipole, Da:

2.3

IP(EA), eV:

 -8.99(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=CC(=C2)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)C3CCC(CC3)CC/C=C/C

DOS

IR

Vibrations