Geometry & MOs

Info

ID:	2120
PubChem CID:	5872
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-151.3
Dipole, Da:	1.65
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations