Geometry & MOs

Info

ID:	437542
PubChem CID:	135226530
Reduced:	FO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	422.226866
ΔH_f, kcal/mol:	-281.9
Dipole, Da:	5.65
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-difluoroethoxy)-2-hydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OC(C)(CF)CF

DOS

IR

Vibrations