Geometry & MOs

Info

ID:	378561
PubChem CID:	134224652
Reduced:	FC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	459.096343
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	0.91
IP(EA), eV:	-9.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[6-(trifluoromethylsulfonyloxy)naphthalene-2-carbonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCC1)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations