Geometry & MOs

Info

ID:	17866
PubChem CID:	524342
Reduced:	ClC4H4 (2)
Stoich.:	AB4C4 (2)
Weight, g/mol:	174.000306
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	1.94
IP(EA), eV:	-9.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(chloromethyl)-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCl)Cl

DOS

IR

Vibrations