Geometry & MOs

Info

ID:	55510
PubChem CID:	17395484
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	341.047027
ΔH_f, kcal/mol:	19.86
Dipole, Da:	3.31
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CC3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations