Geometry & MOs

Info

ID:	446433
PubChem CID:	135274936
Reduced:	ClFN2O2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	297.97532
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	1.8
IP(EA), eV:	-9.53(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2-methylpyrazol-3-yl)-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C2=CC(=C(C=C2)C(=O)OC)F

DOS

IR

Vibrations