Geometry & MOs

Info

ID:	269937
PubChem CID:	103620574
Reduced:	BrClN2O2H8C14 (1)
Stoich.:	ABC2D2E8F14 (1)
Weight, g/mol:	323.01571
ΔH_f, kcal/mol:	-13.53
Dipole, Da:	4.18
IP(EA), eV:	-9.92(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(3,3-dimethyl-2-oxobutyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=O)N(C2=O)CC3=CN=C(C=C3)Cl

DOS

IR

Vibrations