Geometry & MOs

Info

ID:

301203

PubChem CID:

123069139

Reduced:

NO7C29H29 (1)

Stoich.:

AB7C29D29 (1)

Weight, g/mol:

526.246772

ΔHf, kcal/mol:

-195.44

Dipole, Da:

8.67

IP(EA), eV:

 -8.69(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-ethoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations