Geometry & MOs

Info

ID:	301112
PubChem CID:	123059909
Reduced:	NO5H31C33 (1)
Stoich.:	AB5C31D33 (1)
Weight, g/mol:	546.251858
ΔH_f, kcal/mol:	-112.39
Dipole, Da:	8.95
IP(EA), eV:	-8.59(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-naphthalen-1-yl-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)N2C(/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations