Geometry & MOs

Info

ID:

432434

PubChem CID:

135172567

Reduced:

OC5H7 (8)

Stoich.:

AB5C7 (8)

Weight, g/mol:

746.325337

ΔHf, kcal/mol:

-357.86

Dipole, Da:

0.55

IP(EA), eV:

 -8.92(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-2-(7,7,7-trifluoroheptyl)phenyl]-4-(7,7,7-trifluoroheptyl)phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations