Geometry & MOs

Info

ID:	220468
PubChem CID:	85195477
Reduced:	NSO4C8H15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	221.118257
ΔH_f, kcal/mol:	-197.79
Dipole, Da:	4.26
IP(EA), eV:	-8.62(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butylpiperidin-1-ium-2-carboxylic acid;chloride

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(C1O)SC)O)O

DOS

IR

Vibrations