Geometry & MOs

Info

ID:	324322
PubChem CID:	126677429
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-33.09
Dipole, Da:	0.36
IP(EA), eV:	-8.59(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCN1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations