Geometry & MOs

Info

ID:

300684

PubChem CID:

123050828

Reduced:

NO6C30H31 (1)

Stoich.:

AB6C30D31 (1)

Weight, g/mol:

499.235873

ΔHf, kcal/mol:

-153.89

Dipole, Da:

11.63

IP(EA), eV:

 -8.14(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OCC(C)C)/O

DOS

IR

Vibrations