Geometry & MOs

Info

ID:	78719
PubChem CID:	49703918
Reduced:	F3N3O4C24H24 (1)
Stoich.:	A3B3C4D24E24 (1)
Weight, g/mol:	434.162391
ΔH_f, kcal/mol:	-247.53
Dipole, Da:	5.74
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-ethoxyphenyl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NCCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations