Geometry & MOs

Info

ID:	294978
PubChem CID:	117510282
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	327.9495
ΔH_f, kcal/mol:	-141.38
Dipole, Da:	7.45
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C(C)(C)CC(=O)O

DOS

IR

Vibrations