Geometry & MOs

Info

ID:	205622
PubChem CID:	80128230
Reduced:	OBr2F2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	393.90026
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	0.97
IP(EA), eV:	-9.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

C1C2=C(CO1)C=C(C=C2)C(C3=C(C=C(C=C3F)Br)F)Br

DOS

IR

Vibrations