Geometry & MOs

Info

ID:	371588
PubChem CID:	131269071
Reduced:	Br2F3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	313.96848
ΔH_f, kcal/mol:	-158.53
Dipole, Da:	3.86
IP(EA), eV:	-10.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-3-(3-chloropropyl)-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations