Geometry & MOs

Info

ID:	274095
PubChem CID:	103806994
Reduced:	OSBr2N2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	348.02735
ΔH_f, kcal/mol:	28.75
Dipole, Da:	3.71
IP(EA), eV:	-8.64(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)NC(=O)C3=C(SC(=C3)Br)Br

DOS

IR

Vibrations