Geometry & MOs

Info

ID:

432414

PubChem CID:

135172547

Reduced:

O2C9H10 (4)

Stoich.:

A2B9C10 (4)

Weight, g/mol:

650.309098

ΔHf, kcal/mol:

-249.87

Dipole, Da:

3.14

IP(EA), eV:

 -8.82(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]ethoxy]-5-[2-[4-(4-pentylphenyl)phenoxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC(=CC(=C3)OCOC(=O)C(C)(C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations