Geometry & MOs

Info

ID:	128430
PubChem CID:	51043742
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	421.191403
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	7.74
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-benzylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)N2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations