Geometry & MOs

Info

ID:	62386
PubChem CID:	26719661
Reduced:	ClNO3H7C8 (2)
Stoich.:	ABC3D7E8 (2)
Weight, g/mol:	403.049047
ΔH_f, kcal/mol:	-116.08
Dipole, Da:	7.33
IP(EA), eV:	-9.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations