Geometry & MOs

Info

ID:	324095
PubChem CID:	126676913
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-233.39
Dipole, Da:	2.78
IP(EA), eV:	-8.78(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,4R,5S)-5-(hydroxymethyl)-4-(4-methoxyphenyl)-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H](CN1C(=O)OC(C)(C)C)C(=O)OC)C2=CC=C(C=C2)OC

DOS

IR

Vibrations