Geometry & MOs

Info

ID:	339097
PubChem CID:	127260354
Reduced:	O3C22H36 (1)
Stoich.:	A3B22C36 (1)
Weight, g/mol:	234.069222
ΔH_f, kcal/mol:	-176.05
Dipole, Da:	2.85
IP(EA), eV:	-10.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-3-oxocyclohexen-1-yl) benzoate

Drug info:

PubChemData

Smile

CCCCCCCC(C(C)CCCCCOC(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations