Geometry & MOs

Info

ID:	267372
PubChem CID:	103582029
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	4.21
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)CC2CC2

DOS

IR

Vibrations