Geometry & MOs

Info

ID:	388630
PubChem CID:	134989694
Reduced:	BrON5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	290.88533
ΔH_f, kcal/mol:	29.98
Dipole, Da:	3.54
IP(EA), eV:	-9.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-6,7-dichloro-2H-isoquinolin-3-one

Drug info:

PubChemData

Smile

C[N+]1=C(N(N=N1)CC(=O)C2=CC=CC=C2)N.[Br-]

DOS

IR

Vibrations