Geometry & MOs

Info

ID:	294886
PubChem CID:	117502405
Reduced:	BrFO4H10C12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	315.98588
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	6.49
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid;hydrobromide

Drug info:

PubChemData

Smile

C1CC1(CC(=O)O)C2=C3C(=CC(=C2F)Br)OCO3

DOS

IR

Vibrations