Geometry & MOs

Info

ID:	83469
PubChem CID:	49857630
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	7.82
IP(EA), eV:	-8.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)-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)N(C)C)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations