Geometry & MOs

Info

ID:	127989
PubChem CID:	51025659
Reduced:	NO4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	6.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754505
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+]1[C@@H]2CC(C[C@H]1[C@@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4

DOS

IR

Vibrations