Geometry & MOs

Info

ID:	408350
PubChem CID:	135081116
Reduced:	FO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	254.075451
ΔH_f, kcal/mol:	-126.84
Dipole, Da:	2.86
IP(EA), eV:	-9.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(difluoromethyl)-3-oxo-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](CF)C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations