Geometry & MOs

Info

ID:	396587
PubChem CID:	135028804
Reduced:	O3H16C19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	331.084458
ΔH_f, kcal/mol:	-9.4
Dipole, Da:	2.91
IP(EA), eV:	-9.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dioxo-6-phenylhex-3-ynyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC#CC(=O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations