Geometry & MOs

Info

ID:	52216
PubChem CID:	12015020
Reduced:	BrON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	50.32
Dipole, Da:	6.71
IP(EA), eV:	-9.33(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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=C3)Br

DOS

IR

Vibrations