Geometry & MOs

Info

ID:	399241
PubChem CID:	135039050
Reduced:	OSC17H22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	260.084872
ΔH_f, kcal/mol:	2.59
Dipole, Da:	3.94
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dihydro-2,4-benzodioxepin-3-yl)-2-fluorophenol

Drug info:

PubChemData

Smile

CCCCCC/C(=C/C#CCO)/SC1=CC=CC=C1

DOS

IR

Vibrations