Geometry & MOs

Info

ID:	372017
PubChem CID:	131286673
Reduced:	BrClNC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	279.94212
ΔH_f, kcal/mol:	24.45
Dipole, Da:	2.2
IP(EA), eV:	-9.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)CCCCl)CBr

DOS

IR

Vibrations