Geometry & MOs

Info

ID:	281046
PubChem CID:	103852579
Reduced:	FO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	222.105608
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	3.2
IP(EA), eV:	-8.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-4-methoxyphenyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCC2=O)F

DOS

IR

Vibrations