Geometry & MOs

Info

ID:	78633
PubChem CID:	49703257
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	8.42
IP(EA), eV:	-8.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CNC2=CC=CC=C21)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations