Geometry & MOs

Info

ID:	272750
PubChem CID:	103754835
Reduced:	BrOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	310.97057
ΔH_f, kcal/mol:	6.38
Dipole, Da:	3.02
IP(EA), eV:	-9.01(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)NC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations