Geometry & MOs

Info

ID:	6805
PubChem CID:	70136
Reduced:	OCl2H6C8 (1)
Stoich.:	AB2C6D8 (1)
Weight, g/mol:	187.97957
ΔH_f, kcal/mol:	-35.55
Dipole, Da:	4.18
IP(EA), eV:	-10.49(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)benzoyl chloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCl)C(=O)Cl

DOS

IR

Vibrations