Geometry & MOs

Info

ID:	325578
PubChem CID:	126684049
Reduced:	FO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	264.116173
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	2.53
IP(EA), eV:	-9.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(fluoromethyl)-5-methylphenoxy]methyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2CC2C3CC(=O)CC(=O)C3)CF

DOS

IR

Vibrations