Geometry & MOs

Info

ID:	122577
PubChem CID:	50812917
Reduced:	ClN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	5.17
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations