Geometry & MOs

Info

ID:	324093
PubChem CID:	126676910
Reduced:	NSF3O7C14H20 (1)
Stoich.:	ABC3D7E14F20 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-459.8
Dipole, Da:	3.95
IP(EA), eV:	-9.75(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=C(CN1C(=O)OC(C)(C)C)C(=O)OC)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations