Geometry & MOs

Info

ID:	321107
PubChem CID:	126664897
Reduced:	BrSN2C20H43 (1)
Stoich.:	ABC2D20E43 (1)
Weight, g/mol:	217.173845
ΔH_f, kcal/mol:	-7.47
Dipole, Da:	80.42
IP(EA), eV:	-4.68(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[1-(aminomethyl)piperidin-1-ium-1-yl]pentane-1-thiol

Drug info:

PubChemData

Smile

CCCNCCCCCCCCC[N+]1(CCCC1)CCCCS.[Br-]

DOS

IR

Vibrations