Geometry & MOs

Info

ID:	21766
PubChem CID:	589821
Reduced:	OCl2H4C7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	173.96392
ΔH_f, kcal/mol:	136.1
Dipole, Da:	3.82
IP(EA), eV:	-9.08(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichlorocyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

C1=CC(=O)C(=CC=C1Cl)Cl

DOS

IR

Vibrations