Geometry & MOs

Info

ID:

432452

PubChem CID:

135172585

Reduced:

F2O9C36H48 (1)

Stoich.:

A2B9C36D48 (1)

Weight, g/mol:

748.491419

ΔHf, kcal/mol:

-470.31

Dipole, Da:

3.51

IP(EA), eV:

 -9.17(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-ethyl-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)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