Geometry & MOs

Info

ID:	276657
PubChem CID:	103824605
Reduced:	ClN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	328.95667
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	3.88
IP(EA), eV:	-9.78(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-])C(=O)NC

DOS

IR

Vibrations