Geometry & MOs

Info

ID:

432426

PubChem CID:

135172559

Reduced:

OC5H6 (8)

Stoich.:

AB5C6 (8)

Weight, g/mol:

672.254617

ΔHf, kcal/mol:

-273.63

Dipole, Da:

5.9

IP(EA), eV:

 -8.76(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[[4-[4-(5,5,5-trifluoropentyl)phenyl]phenyl]methoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCC1=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)CC

DOS

IR

Vibrations