Geometry & MOs

Info

ID:	166038
PubChem CID:	74629241
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	391.08213
ΔH_f, kcal/mol:	-41.35
Dipole, Da:	6.34
IP(EA), eV:	-9.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-bromo-2-fluoro-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NNC(=O)C1=NOC(=C1)C2=CC=CC=C2)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations