Geometry & MOs

Info

ID:	51081
PubChem CID:	12013704
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	4.1
IP(EA), eV:	-9.49(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzyl-6-hydroxy-6-methyl-9-oxo-3-azabicyclo[3.3.1]nonane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CN(C1=O)OCC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations