Geometry & MOs

Info

ID:	437549
PubChem CID:	135226537
Reduced:	O7C31H44 (1)
Stoich.:	A7B31C44 (1)
Weight, g/mol:	432.267588
ΔH_f, kcal/mol:	-240.09
Dipole, Da:	7.9
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-fluoro-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)OCCOCCOCCOCC#C

DOS

IR

Vibrations