Geometry & MOs

Info

ID:	49955
PubChem CID:	11538305
Reduced:	NCl2O3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	391.04331
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	1.99
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)NC3=CC=CC=C3C(=O)O)Cl

DOS

IR

Vibrations