Geometry & MOs

Info

ID:	84103
PubChem CID:	49864190
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-99.05
Dipole, Da:	1.51
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations