Geometry & MOs

Info

ID:	389112
PubChem CID:	134991190
Reduced:	BSBr2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	258.050379
ΔH_f, kcal/mol:	-63.8
Dipole, Da:	4.38
IP(EA), eV:	-8.26(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2,4,6-trifluoro-3-oxo-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

B([C@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C)(Br)Br.CSC

DOS

IR

Vibrations