Geometry & MOs

Info

ID:	336704
PubChem CID:	127255711
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	178.079393
ΔH_f, kcal/mol:	-5.9
Dipole, Da:	4.39
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-fluoro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC2=O)C=C1)I

DOS

IR

Vibrations