Geometry & MOs

Info

ID:	280880
PubChem CID:	103851728
Reduced:	OF2N2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	3.72
IP(EA), eV:	-8.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-cyanophenyl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCC2=CC(=CC(=C2)F)F)OCC#N

DOS

IR

Vibrations