Geometry & MOs

Info

ID:

300628

PubChem CID:

123046277

Reduced:

N2O9H26C28 (1)

Stoich.:

A2B9C26D28 (1)

Weight, g/mol:

544.220951

ΔHf, kcal/mol:

-199.6

Dipole, Da:

1.64

IP(EA), eV:

 -8.4(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(3-hydroxy-4-methoxyphenyl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)OC)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

DOS

IR

Vibrations