Geometry & MOs

Info

ID:	12364
PubChem CID:	136172
Reduced:	BrClF3H3C7 (1)
Stoich.:	ABC3D3E7 (1)
Weight, g/mol:	257.90587
ΔH_f, kcal/mol:	-142.21
Dipole, Da:	2.96
IP(EA), eV:	-10.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-chloro-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(F)(F)F)Br

DOS

IR

Vibrations