Geometry & MOs

Info

ID:

432416

PubChem CID:

135172549

Reduced:

O8C37H52 (1)

Stoich.:

A8B37C52 (1)

Weight, g/mol:

636.366219

ΔHf, kcal/mol:

-353.72

Dipole, Da:

0.53

IP(EA), eV:

 -8.62(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-ethyl-4-[4-[(E)-pent-3-enyl]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)C3=C(C(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)C

DOS

IR

Vibrations