Geometry & MOs

Info

ID:	371594
PubChem CID:	131269078
Reduced:	BrClF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	359.91591
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	1.65
IP(EA), eV:	-10.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-1-(3-bromopropyl)-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)CCCCl)CBr

DOS

IR

Vibrations