Geometry & MOs

Info

ID:	303984
PubChem CID:	124491136
Reduced:	N2O3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-147.3
Dipole, Da:	0.6
IP(EA), eV:	-9.23(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)[C@@](CN)(C2=CC=CC=C2)O

DOS

IR

Vibrations