Geometry & MOs

Info

ID:

432534

PubChem CID:

135172667

Reduced:

F2O9C36H42 (1)

Stoich.:

A2B9C36D42 (1)

Weight, g/mol:

676.322303

ΔHf, kcal/mol:

-428.68

Dipole, Da:

3.21

IP(EA), eV:

 -9.23(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-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

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(OC3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(C(=C)CO)O)(F)F

DOS

IR

Vibrations