Geometry & MOs

Info

ID:	2676
PubChem CID:	8241
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	2.32
IP(EA), eV:	-9.27(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CN1[C@H]2CC(C[C@H]1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4

DOS

IR

Vibrations