Geometry & MOs

Info

ID:	83166
PubChem CID:	49857232
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	8.22
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NN=C(C=C3)C)C4=CC=C(C=C4)OCCN(C)C)/O

DOS

IR

Vibrations