Geometry & MOs

Info

ID:	378230
PubChem CID:	134224306
Reduced:	OCl2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	526.147778
ΔH_f, kcal/mol:	4.07
Dipole, Da:	1.39
IP(EA), eV:	-9.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[2-[3-(2,6-dichlorophenyl)-3-oxoprop-1-en-2-yl]-6-fluorophenyl]methyl]-4-methylhexyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C)OC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations