Geometry & MOs

Info

ID:

300864

PubChem CID:

123055245

Reduced:

NO8C29H29 (1)

Stoich.:

AB8C29D29 (1)

Weight, g/mol:

528.226037

ΔHf, kcal/mol:

-236.54

Dipole, Da:

9.08

IP(EA), eV:

 -8.5(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC(=C3)OC)OC)C4=CC(=C(C=C4)OC)O)/O

DOS

IR

Vibrations