Geometry & MOs

Info

ID:	83165
PubChem CID:	49857231
Reduced:	ClO2N6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	73.6
Dipole, Da:	7.23
IP(EA), eV:	-8.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=C(C=NN2CC3CC3)NC(=O)C4=C5N=CC=CN5N=C4

DOS

IR

Vibrations