Geometry & MOs

Info

ID:	324323
PubChem CID:	126677431
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	3.12
IP(EA), eV:	-8.7(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 3-O-ethyl (2R,3S,4R)-4-(4-methoxyphenyl)-2-methylpiperidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](CCN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)OC)CO

DOS

IR

Vibrations