Geometry & MOs

Info

ID:	303919
PubChem CID:	124490878
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	2.84
IP(EA), eV:	-8.36(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[(1S)-1-anilinoethyl]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