Geometry & MOs

Info

ID:	31002
PubChem CID:	854078
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-71.97
Dipole, Da:	2.29
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-2-(hydroxymethyl)-2-phenylbutanoate

Drug info:

PubChemData

Smile

CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations