Geometry & MOs

Info

ID:	300978
PubChem CID:	123058793
Reduced:	NO6C30H31 (1)
Stoich.:	AB6C30D31 (1)
Weight, g/mol:	498.179087
ΔH_f, kcal/mol:	-161.57
Dipole, Da:	7.32
IP(EA), eV:	-8.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3Z)-2-(4-ethoxy-3-methoxyphenyl)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]benzonitrile

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)C)C)OC

DOS

IR

Vibrations