Geometry & MOs

Info

ID:	190306
PubChem CID:	77982662
Reduced:	F3O3C33H35 (1)
Stoich.:	A3B3C33D35 (1)
Weight, g/mol:	550.289466
ΔH_f, kcal/mol:	-240.06
Dipole, Da:	2.32
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2-fluorophenyl]hexanoic acid

Drug info:

PubChemData

Smile

CCCC(CC(=O)O)C1=CC(=CC=C1)OCC2=CC(=C(C=C2)C3=C(C=CC(=C3)C(F)F)F)C4=CCCC4(C)C

DOS

IR

Vibrations