Geometry & MOs

Info

ID:	336706
PubChem CID:	127255713
Reduced:	FOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	178.079393
ΔH_f, kcal/mol:	-76.99
Dipole, Da:	4.88
IP(EA), eV:	-9.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-7-fluoro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CCC1=C2CCC(=O)C2=CC(=C1)F

DOS

IR

Vibrations