Geometry & MOs

Info

ID:	28962
PubChem CID:	830888
Reduced:	NOC8H15 (2)
Stoich.:	ABC8D15 (2)
Weight, g/mol:	266.212004
ΔH_f, kcal/mol:	-131.45
Dipole, Da:	2.27
IP(EA), eV:	-9.94(0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2R,5S,8S)-2-(1-methylpiperidin-1-ium-1-yl)-8-bicyclo[3.2.1]octanyl] acetate

Drug info:

PubChemData

Smile

C[C@@]12CCCC([C@@H]1CC[C@]([C@H]2CC(=O)NN)(C)O)(C)C

DOS

IR

Vibrations