Geometry & MOs

Info

ID:	321129
PubChem CID:	126664981
Reduced:	BrSN2C15H33 (1)
Stoich.:	ABC2D15E33 (1)
Weight, g/mol:	346.10783
ΔH_f, kcal/mol:	-51.86
Dipole, Da:	10.6
IP(EA), eV:	-7.84(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(aminomethyl)pyridin-1-ium-1-yl]nonane-1-thiol;bromide

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCCCCCCCCCS)CN.[Br-]

DOS

IR

Vibrations