Geometry & MOs

Info

ID:	321102
PubChem CID:	126664891
Reduced:	BrSN2C15H33 (1)
Stoich.:	ABC2D15E33 (1)
Weight, g/mol:	273.236445
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	11.05
IP(EA), eV:	-7.87(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCCCCCCS)CN.[Br-]

DOS

IR

Vibrations