Geometry & MOs

Info

ID:

301188

PubChem CID:

123069020

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

512.194737

ΔHf, kcal/mol:

-168.55

Dipole, Da:

7.14

IP(EA), eV:

 -8.48(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3E)-2-(3,4-diethoxyphenyl)-3-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=C(C=C(C=C4)C)C)OCC

DOS

IR

Vibrations