Geometry & MOs

Info

ID:	52215
PubChem CID:	12015019
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	343.03202
ΔH_f, kcal/mol:	47.57
Dipole, Da:	6.04
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-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

DOS

IR

Vibrations