Geometry & MOs

Info

ID:

432506

PubChem CID:

135172639

Reduced:

O3C18H26 (2)

Stoich.:

A3B18C26 (2)

Weight, g/mol:

714.413169

ΔHf, kcal/mol:

-297.97

Dipole, Da:

3.81

IP(EA), eV:

 -8.6(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC3=C(C=C2)C(=CC(=C3)CCCOC(=O)C(=C)CO)CCCOC(=O)C(C)(C)CO

DOS

IR

Vibrations