Geometry & MOs

Info

ID:	324097
PubChem CID:	126676917
Reduced:	NO5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-214.01
Dipole, Da:	5.72
IP(EA), eV:	-8.89(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=C(CN1C(=O)OC(C)(C)C)C(=O)OC)C2=CC=C(C=C2)OC

DOS

IR

Vibrations