Geometry & MOs

Info

ID:	437545
PubChem CID:	135226533
Reduced:	FO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	484.282489
ΔH_f, kcal/mol:	-233.5
Dipole, Da:	7.53
IP(EA), eV:	-9.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentyl-4-[2-(2-prop-2-ynoxyethoxy)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OCF

DOS

IR

Vibrations