Geometry & MOs

Info

ID:

300627

PubChem CID:

123046272

Reduced:

N2O9H24C27 (1)

Stoich.:

A2B9C24D27 (1)

Weight, g/mol:

534.16383

ΔHf, kcal/mol:

-191.38

Dipole, Da:

1.32

IP(EA), eV:

 -8.42(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxy-3-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)OC)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

DOS

IR

Vibrations