Geometry & MOs

Info

ID:	371589
PubChem CID:	131269072
Reduced:	BrClF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	313.96848
ΔH_f, kcal/mol:	-169.67
Dipole, Da:	4.72
IP(EA), eV:	-10.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1CBr)C(F)(F)F)CCCCl

DOS

IR

Vibrations