Geometry & MOs

Info

ID:	437539
PubChem CID:	135226527
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	404.236288
ΔH_f, kcal/mol:	-194.17
Dipole, Da:	8.82
IP(EA), eV:	-9.31(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-fluoroethoxy)-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)OCCC

DOS

IR

Vibrations