Geometry & MOs

Info

ID:	6061
PubChem CID:	14377
Reduced:	BrClNC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	339.03894
ΔH_f, kcal/mol:	80.37
Dipole, Da:	25.47
IP(EA), eV:	-6.48(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl(2-bromoethyl)azanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[NH+](CCBr)CC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations