Geometry & MOs

Info

ID:	293830
PubChem CID:	117404256
Reduced:	FO6C11H13 (1)
Stoich.:	AB6C11D13 (1)
Weight, g/mol:	260.05972
ΔH_f, kcal/mol:	-267.14
Dipole, Da:	5.37
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-fluoro-1-benzofuran-7-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)C(C(=O)OC)O)O)F

DOS

IR

Vibrations