Geometry & MOs

Info

ID:	166649
PubChem CID:	74721689
Reduced:	NO4C29H31 (1)
Stoich.:	AB4C29D31 (1)
Weight, g/mol:	465.238947
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	3.43
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC(=CC=C4)OC)C(=O)CC(C2)C5=CC=CC=C5

DOS

IR

Vibrations