Geometry & MOs

Info

ID:	78661
PubChem CID:	49703514
Reduced:	ClN3O4H16C20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	4.1
IP(EA), eV:	-8.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations