Geometry & MOs

Info

ID:

432507

PubChem CID:

135172640

Reduced:

O4C22H29 (2)

Stoich.:

A4B22C29 (2)

Weight, g/mol:

528.272318

ΔHf, kcal/mol:

-337.74

Dipole, Da:

2.69

IP(EA), eV:

 -8.86(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations