Geometry & MOs

Info

ID:	341051
PubChem CID:	127263486
Reduced:	ClOF2N2C6H9 (1)
Stoich.:	ABC2D2E6F9 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	-169.87
Dipole, Da:	2.9
IP(EA), eV:	-9.88(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-methyl-3,5-dioxo-2-azabicyclo[2.2.2]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@]2(CNC(=O)[C@@]2(CN1)F)F.Cl

DOS

IR

Vibrations