Geometry & MOs

Info

ID:	294554
PubChem CID:	117470155
Reduced:	BrFO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	289.99539
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	2.46
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1F)Br)CCC=O)OC

DOS

IR

Vibrations