Geometry & MOs

Info

ID:	301071
PubChem CID:	123059724
Reduced:	NO7C31H33 (1)
Stoich.:	AB7C31D33 (1)
Weight, g/mol:	526.210387
ΔH_f, kcal/mol:	-199.51
Dipole, Da:	8.87
IP(EA), eV:	-8.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3Z)-2-(3,4-diethoxyphenyl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=CC=C4OC)OCC

DOS

IR

Vibrations