Geometry & MOs

Info

ID:	263763
PubChem CID:	103396307
Reduced:	BrOCl2F2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	364.0241
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	4.51
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-bromo-4-fluoro-2-methoxyphenyl)-3-chloropropyl]oxane

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(CC2=C(C=CC=C2Cl)F)Cl)Br)F

DOS

IR

Vibrations