Geometry & MOs

Info

ID:

432482

PubChem CID:

135172615

Reduced:

F3O8C35H43 (1)

Stoich.:

A3B8C35D43 (1)

Weight, g/mol:

628.303618

ΔHf, kcal/mol:

-474.32

Dipole, Da:

2.5

IP(EA), eV:

 -9.0(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4-[2-(4-heptylphenyl)ethynyl]phenyl]-5-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenoxy]methyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2CCC(CC2)CCC(F)(F)F)C3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations