Geometry & MOs

Info

ID:	22939
PubChem CID:	600078
Reduced:	INO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	343.00693
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	3.35
IP(EA), eV:	-9.74(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodopentan-2-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(CCCI)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations