Geometry & MOs

Info

ID:	47795
PubChem CID:	10535359
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	179.071306
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	4.28
IP(EA), eV:	-9.4(2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-6-methylpiperidin-1-ium-2-carboxylic acid;chloride

Drug info:

PubChemData

Smile

C1CN[C@H]2C[C@@H]1[C@H]([C@@H]2O)O

DOS

IR

Vibrations