Geometry & MOs

Info

ID:	252435
PubChem CID:	103111366
Reduced:	FON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	344.01604
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	1.72
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2-methylphenyl)methyl]-5-bromoisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC=C(C=C1)F

DOS

IR

Vibrations