Geometry & MOs

Info

ID:

432472

PubChem CID:

135172605

Reduced:

O2C9H10 (4)

Stoich.:

A2B9C10 (4)

Weight, g/mol:

714.413169

ΔHf, kcal/mol:

-249.7

Dipole, Da:

5.11

IP(EA), eV:

 -8.91(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=CC(=C3)OCOC(=O)C(C)(C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations