Geometry & MOs

Info

ID:	262637
PubChem CID:	103304196
Reduced:	BrF3H12C13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	397.87519
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	2.71
IP(EA), eV:	-9.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(C1)C2C(C3=CC(=C(C=C3F)F)F)Br

DOS

IR

Vibrations