Geometry & MOs

Info

ID:	303981
PubChem CID:	124491128
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	2.89
IP(EA), eV:	-9.53(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[(1S)-2-azido-1-hydroxy-1-phenylethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)[C@@]2(CO2)C3=CC=CC=C3

DOS

IR

Vibrations