Geometry & MOs

Info

ID:	200811
PubChem CID:	79447316
Reduced:	Cl2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	216.047256
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	1.25
IP(EA), eV:	-10.44(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-2-(chloromethyl)propyl]-2-methylbenzene

Drug info:

PubChemData

Smile

CCCCCC(CCl)(CCl)C(C)C

DOS

IR

Vibrations