Geometry & MOs

Info

ID:	300998
PubChem CID:	123058992
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	540.226037
ΔH_f, kcal/mol:	-165.78
Dipole, Da:	10.48
IP(EA), eV:	-8.6(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC=CC=C4)OCC

DOS

IR

Vibrations