Geometry & MOs

Info

ID:	324094
PubChem CID:	126676912
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-196.04
Dipole, Da:	4.77
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 3-O-methyl (3S,4S,6R)-4-(4-methoxyphenyl)-6-methylpiperidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations