Geometry & MOs

Info

ID:	60007
PubChem CID:	26663153
Reduced:	ClN3O5H20C25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	484.151348
ΔH_f, kcal/mol:	-139.09
Dipole, Da:	5.05
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-phenyl-5-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations