Geometry & MOs

Info

ID:	303920
PubChem CID:	124490879
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	2.61
IP(EA), eV:	-8.24(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[(1S)-1-(methylamino)propyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CCCN(C1)C(=O)OC(C)(C)C)NC2=CC=CC=C2

DOS

IR

Vibrations