Geometry & MOs

Info

ID:	189344
PubChem CID:	77843508
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	12.1
IP(EA), eV:	-9.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(C3C2CS(=O)(=O)C3)CC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations