Geometry & MOs

Info

ID:	293241
PubChem CID:	117378266
Reduced:	F3O4H9C10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	250.038985
ΔH_f, kcal/mol:	-315.52
Dipole, Da:	6.04
IP(EA), eV:	-9.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=C(C(=CC=C1)C(F)(F)F)O)O

DOS

IR

Vibrations