Geometry & MOs

Info

ID:	437550
PubChem CID:	135226538
Reduced:	FO4C26H37 (1)
Stoich.:	AB4C26D37 (1)
Weight, g/mol:	450.258166
ΔH_f, kcal/mol:	-241.92
Dipole, Da:	7.36
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,1-difluoro-2-methylpropan-2-yl)oxy-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)(C)CF

DOS

IR

Vibrations