Geometry & MOs

Info

ID:	200802
PubChem CID:	79446871
Reduced:	Br2F3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	413.9817
ΔH_f, kcal/mol:	-95.92
Dipole, Da:	4.72
IP(EA), eV:	-9.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-bromo-2-(bromomethyl)-2-(2-fluorophenyl)propyl]-1,2-dimethylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC2=C(C(=CC=C2)F)F)(CBr)CBr)F

DOS

IR

Vibrations