Geometry & MOs

Info

ID:	52217
PubChem CID:	12015021
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	359.02694
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	5.43
IP(EA), eV:	-9.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-(3-imino-1,4-dihydroisoquinolin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN(C1=N)NC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations