Geometry & MOs

Info

ID:	396005
PubChem CID:	135027180
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	328.01104
ΔH_f, kcal/mol:	-134.45
Dipole, Da:	1.9
IP(EA), eV:	-9.99(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

C=C[C@H](COC1CCCCO1)O

DOS

IR

Vibrations