Geometry & MOs

Info

ID:	399065
PubChem CID:	135037451
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	248.084872
ΔH_f, kcal/mol:	24.89
Dipole, Da:	6.48
IP(EA), eV:	-8.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylprop-2-enyl 2-fluoro-3-oxo-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1COC2=NN(CN12)C3=CC=CC=C3

DOS

IR

Vibrations