Geometry & MOs

Info

ID:	6039
PubChem CID:	14329
Reduced:	BrN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	255.03711
ΔH_f, kcal/mol:	33.82
Dipole, Da:	10.13
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide;bromide

Drug info:

PubChemData

Smile

C1C[NH+](CC2=CC=CC=C21)C(=N)N.[Br-]

DOS

IR

Vibrations