Geometry & MOs

Info

ID:

83305

PubChem CID:

49857430

Reduced:

O3N5C30H33 (1)

Stoich.:

A3B5C30D33 (1)

Weight, g/mol:

454.225643

ΔHf, kcal/mol:

-18.29

Dipole, Da:

6.47

IP(EA), eV:

 -8.26(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(5-methylpyridin-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations