Geometry & MOs

Info

ID:	371591
PubChem CID:	131269074
Reduced:	BrClF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	313.96848
ΔH_f, kcal/mol:	-166.76
Dipole, Da:	2.95
IP(EA), eV:	-10.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations