Geometry & MOs

Info

ID:	262631
PubChem CID:	103304105
Reduced:	BrF6H7C14 (1)
Stoich.:	AB6C7D14 (1)
Weight, g/mol:	313.9918
ΔH_f, kcal/mol:	-252.87
Dipole, Da:	3.76
IP(EA), eV:	-10.25(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(4-methylphenyl)methyl]-2,4,5-trifluorobenzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=C(C=C2F)F)F)Br

DOS

IR

Vibrations