Geometry & MOs

Info

ID:	322598
PubChem CID:	126670616
Reduced:	N2F3O3C20H31 (1)
Stoich.:	A2B3C3D20E31 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-286.52
Dipole, Da:	4.91
IP(EA), eV:	-8.51(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-3-oxatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@H]1C2CC3CC(C1N(C3)C(CC(F)(F)F)O)N2CC4CC4

DOS

IR

Vibrations