Geometry & MOs

Info

ID:

432477

PubChem CID:

135172610

Reduced:

O10C37H52 (1)

Stoich.:

A10B37C52 (1)

Weight, g/mol:

592.228403

ΔHf, kcal/mol:

-398.92

Dipole, Da:

2.19

IP(EA), eV:

 -8.64(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-5-[4-[4-(3,3,3-trifluoropropyl)cyclohexyl]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)OCCOC3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(C(=C)CO)O

DOS

IR

Vibrations