Geometry & MOs

Info

ID:	303924
PubChem CID:	124490887
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	3.77
IP(EA), eV:	-8.12(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[(1R)-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