Geometry & MOs

Info

ID:	82493
PubChem CID:	49856098
Reduced:	O4N5H25C28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	491.08445
ΔH_f, kcal/mol:	-13.06
Dipole, Da:	7.48
IP(EA), eV:	-9.37(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-bromophenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)C5=NN=C(O5)C

DOS

IR

Vibrations