Geometry & MOs

Info

ID:

432677

PubChem CID:

135172813

Reduced:

N3O3C25H25 (1)

Stoich.:

A3B3C25D25 (1)

Weight, g/mol:

698.306653

ΔHf, kcal/mol:

-30.37

Dipole, Da:

4.6

IP(EA), eV:

 -8.97(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-ethyl-4-[3-methyl-4-(6,6,6-trifluorohexyl)phenyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C(=O)COC5=CC=CC=C5

DOS

IR

Vibrations