Geometry & MOs

Info

ID:	303982
PubChem CID:	124491131
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	2.86
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations