Geometry & MOs

Info

ID:	259561
PubChem CID:	103168121
Reduced:	FO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	226.056071
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	3.91
IP(EA), eV:	-9.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-fluorophenyl)-2-cyclobutylethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C2=CC3=C(O2)C=CC(=C3)F

DOS

IR

Vibrations