Geometry & MOs

Info

ID:	321108
PubChem CID:	126664902
Reduced:	SN2C11H25 (1)
Stoich.:	AB2C11D25 (1)
Weight, g/mol:	254.04523
ΔH_f, kcal/mol:	6.05
Dipole, Da:	3.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754621
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(aminomethyl)piperidin-1-ium-1-yl]ethanethiol;bromide

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCCS)CN

DOS

IR

Vibrations