Geometry & MOs

Info

ID:	47852
PubChem CID:	10535627
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	189.100108
ΔH_f, kcal/mol:	-174.32
Dipole, Da:	3.06
IP(EA), eV:	-10.47(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R,6R,8S)-8-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,5,6-triol

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C)C(=O)OC)C[C@H](C)O

DOS

IR

Vibrations