Geometry & MOs

Info

ID:	321130
PubChem CID:	126664983
Reduced:	BrSN2C15H27 (1)
Stoich.:	ABC2D15E27 (1)
Weight, g/mol:	267.189495
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	7.58
IP(EA), eV:	-7.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CN)CCCCCCCCCS.[Br-]

DOS

IR

Vibrations