Geometry & MOs

Info

ID:	437544
PubChem CID:	135226532
Reduced:	NO6C28H33 (1)
Stoich.:	AB6C28D33 (1)
Weight, g/mol:	390.220638
ΔH_f, kcal/mol:	-148.1
Dipole, Da:	6.7
IP(EA), eV:	-9.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(fluoromethoxy)-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)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations