Geometry & MOs

Info

ID:	200801
PubChem CID:	79446640
Reduced:	Br2Cl3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	421.93156
ΔH_f, kcal/mol:	12.69
Dipole, Da:	2.51
IP(EA), eV:	-9.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations