Geometry & MOs

Info

ID:	22134
PubChem CID:	596067
Reduced:	FO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	286.100523
ΔH_f, kcal/mol:	-117.86
Dipole, Da:	4.6
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)CCC3=CC(=CC=C3)F

DOS

IR

Vibrations