Geometry & MOs

Info

ID:	303923
PubChem CID:	124490886
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	3.29
IP(EA), eV:	-8.33(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[(1S)-1-anilinopropyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations