Geometry & MOs

Info

ID:	5864
PubChem CID:	13928
Reduced:	BrClON2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	327.9978
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	6.21
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-1-ium-2-yl)amino]-1-phenylethanol;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CNC2=[NH+]C=C(C=C2)Br)O.[Cl-]

DOS

IR

Vibrations