Geometry & MOs

Info

ID:

300796

PubChem CID:

123055029

Reduced:

N2O8H24C27 (1)

Stoich.:

A2B8C24D27 (1)

Weight, g/mol:

539.278407

ΔHf, kcal/mol:

-161.63

Dipole, Da:

8.17

IP(EA), eV:

 -8.96(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations