Geometry & MOs

Info

ID:	301164
PubChem CID:	123067407
Reduced:	NO5H27C35 (1)
Stoich.:	AB5C27D35 (1)
Weight, g/mol:	497.231456
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	10.85
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)/O

DOS

IR

Vibrations