Geometry & MOs

Info

ID:

301222

PubChem CID:

123069323

Reduced:

NO6H29C33 (1)

Stoich.:

AB6C29D33 (1)

Weight, g/mol:

496.236208

ΔHf, kcal/mol:

-145.33

Dipole, Da:

9.34

IP(EA), eV:

 -9.01(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations