Geometry & MOs

Info

ID:

432439

PubChem CID:

135172572

Reduced:

FO8C44H57 (1)

Stoich.:

AB8C44D57 (1)

Weight, g/mol:

680.40769

ΔHf, kcal/mol:

-383.86

Dipole, Da:

0.72

IP(EA), eV:

 -9.07(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl]-5-[4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]phenyl]propyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)CCC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)F

DOS

IR

Vibrations