Geometry & MOs

Info

ID:

174610

PubChem CID:

75792326

Reduced:

NO6H18C20 (1)

Stoich.:

AB6C18D20 (1)

Weight, g/mol:

369.121237

ΔHf, kcal/mol:

-113.71

Dipole, Da:

4.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.801985

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CN1C(C(=C(C1=O)[O-])C(=O)C=CC2=CC=CO2)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations