Geometry & MOs

Info

ID:	85768
PubChem CID:	49878982
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	420.077137
ΔH_f, kcal/mol:	-46.4
Dipole, Da:	5.79
IP(EA), eV:	-8.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CC(C2=CC=CC=C2)N3C=CC=C3

DOS

IR

Vibrations