Geometry & MOs

Info

ID:	281047
PubChem CID:	103852580
Reduced:	FO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	255.98991
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	4.27
IP(EA), eV:	-9.06(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-fluorophenyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCCC2=O)F

DOS

IR

Vibrations