Geometry & MOs

Info

ID:	300964
PubChem CID:	123058754
Reduced:	NO5C31H33 (1)
Stoich.:	AB5C31D33 (1)
Weight, g/mol:	539.191957
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	9.86
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-butoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations