Geometry & MOs

Info

ID:	321181
PubChem CID:	126665109
Reduced:	BrSN3C14H28 (1)
Stoich.:	ABC3D14E28 (1)
Weight, g/mol:	270.200394
ΔH_f, kcal/mol:	-19.84
Dipole, Da:	3.91
IP(EA), eV:	-7.77(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[3-[3-(dimethylamino)propyl]imidazol-3-ium-1-yl]hexane-1-thiol

Drug info:

PubChemData

Smile

CN(C)CCC[N+]1=CN(C=C1)CCCCCCS.[Br-]

DOS

IR

Vibrations