Geometry & MOs

Info

ID:	18399
PubChem CID:	540310
Reduced:	Cl2O2H6C7 (1)
Stoich.:	A2B2C6D7 (1)
Weight, g/mol:	191.974485
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	6.63
IP(EA), eV:	-9.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-2,6-dimethylpyran-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(O1)C)Cl)Cl

DOS

IR

Vibrations