Geometry & MOs

Info

ID:	83038
PubChem CID:	49857043
Reduced:	F3O3N6H19C21 (1)
Stoich.:	A3B3C6D19E21 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-151.67
Dipole, Da:	4.24
IP(EA), eV:	-8.58(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-methyl-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(C(=N1)C2=C(C=CC(=C2)F)OC(F)F)NC(=O)C3=C4N=CC=CN4N=C3)O

DOS

IR

Vibrations