Geometry & MOs

Info

ID:	372728
PubChem CID:	131303393
Reduced:	BrCl2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	279.94212
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	3.99
IP(EA), eV:	-9.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(chloromethyl)-5-(3-chloropropyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCl)Br)CCCCl

DOS

IR

Vibrations