Geometry & MOs

Info

ID:	264126
PubChem CID:	103430715
Reduced:	OSBr2N2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	42.93
Dipole, Da:	3.12
IP(EA), eV:	-8.7(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(hydroxymethyl)phenyl]-4,7-dimethylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C)C(=O)NN=C2C3=C(SC(=C3)Br)Br

DOS

IR

Vibrations