Geometry & MOs

Info

ID:

432474

PubChem CID:

135172607

Reduced:

F3O8H33C35 (1)

Stoich.:

A3B8C33D35 (1)

Weight, g/mol:

688.397519

ΔHf, kcal/mol:

-371.71

Dipole, Da:

4.19

IP(EA), eV:

 -9.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations