Geometry & MOs

Info

ID:	2119
PubChem CID:	5871
Reduced:	ClNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	339.123736
ΔH_f, kcal/mol:	-191.52
Dipole, Da:	4.82
IP(EA), eV:	-9.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R,3S,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CN1[C@@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl

DOS

IR

Vibrations