Geometry & MOs

Info

ID:	233296
PubChem CID:	89649872
Reduced:	ClFNOC4H5 (1)
Stoich.:	ABCDE4F5 (1)
Weight, g/mol:	180.095043
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	3.16
IP(EA), eV:	-10.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-7a-fluoro-3,3-dimethyl-1,2-dihydroinden-5-one

Drug info:

PubChemData

Smile

C1C(C1(C(=O)N)Cl)F

DOS

IR

Vibrations