Geometry & MOs

Info

ID:	371590
PubChem CID:	131269073
Reduced:	BrClF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	313.96848
ΔH_f, kcal/mol:	-168.98
Dipole, Da:	2.73
IP(EA), eV:	-10.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations