Geometry & MOs

Info

ID:

300970

PubChem CID:

123058766

Reduced:

NO3C15H16 (2)

Stoich.:

AB3C15D16 (2)

Weight, g/mol:

531.189317

ΔHf, kcal/mol:

-145.46

Dipole, Da:

8.77

IP(EA), eV:

 -8.21(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-ethoxy-3-methoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations