Geometry & MOs

Info

ID:

300878

PubChem CID:

123055294

Reduced:

NO7C31H33 (1)

Stoich.:

AB7C31D33 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-211.46

Dipole, Da:

10.03

IP(EA), eV:

 -8.29(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3,4-dimethylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-[4-methoxy-3-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=CC(=C1)C2/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=CC=C4O)OC

DOS

IR

Vibrations