Geometry & MOs

Info

ID:	437547
PubChem CID:	135226535
Reduced:	FO4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	596.23487
ΔH_f, kcal/mol:	-225.91
Dipole, Da:	7.25
IP(EA), eV:	-9.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]-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)OCCF

DOS

IR

Vibrations