Geometry & MOs

Info

ID:	78640
PubChem CID:	49703295
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	452.161518
ΔH_f, kcal/mol:	-81.62
Dipole, Da:	8.11
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-methoxyphenyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)N1C(=O)C=CC(=N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations