Geometry & MOs

Info

ID:	321137
PubChem CID:	126665012
Reduced:	BrSN3C16H32 (1)
Stoich.:	ABC3D16E32 (1)
Weight, g/mol:	239.03433
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	13.49
IP(EA), eV:	-7.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrrolidin-1-ium-1-yl)propane-1-thiol;bromide

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCS)CCCCCCCCCCCN.[Br-]

DOS

IR

Vibrations