Geometry & MOs

Info

ID:	321167
PubChem CID:	126665081
Reduced:	SN2C10H23 (1)
Stoich.:	AB2C10D23 (1)
Weight, g/mol:	267.189495
ΔH_f, kcal/mol:	12.13
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751945
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(8-aminooctyl)pyridin-1-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCCCN)CCS

DOS

IR

Vibrations