Geometry & MOs

Info

ID:	78655
PubChem CID:	49703431
Reduced:	N4O6H22C23 (1)
Stoich.:	A4B6C22D23 (1)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	-121.91
Dipole, Da:	3.73
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-yl)-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations