Geometry & MOs

Info

ID:

301196

PubChem CID:

123069124

Reduced:

NO7C31H33 (1)

Stoich.:

AB7C31D33 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-205.69

Dipole, Da:

8.93

IP(EA), eV:

 -8.54(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC=CC=C4O)OCC

DOS

IR

Vibrations