Geometry & MOs

Info

ID:

300770

PubChem CID:

123054758

Reduced:

NO4C15H15 (2)

Stoich.:

AB4C15D15 (2)

Weight, g/mol:

541.282823

ΔHf, kcal/mol:

-179.0

Dipole, Da:

5.96

IP(EA), eV:

 -8.35(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(4-ethylphenyl)-4-[hydroxy-(4-pentoxyphenyl)methylidene]-1-[4-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)OCC)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations