Geometry & MOs

Info

ID:	269806
PubChem CID:	103619100
Reduced:	FO3N4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	3.97
IP(EA), eV:	-9.5(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(4-methylphenyl)ethylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C2=C(C(=CC(=C2)F)[N+](=O)[O-])N

DOS

IR

Vibrations