Geometry & MOs

Info

ID:	341902
PubChem CID:	127264595
Reduced:	Br3N3H8C9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	182.064447
ΔH_f, kcal/mol:	4.59
Dipole, Da:	3.27
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylsulfanylmethyl)piperazine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NN=C(C=C2)Br.Br.Br

DOS

IR

Vibrations