Geometry & MOs

Info

ID:	18373
PubChem CID:	540033
Reduced:	Cl3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	326.024327
ΔH_f, kcal/mol:	-176.97
Dipole, Da:	3.7
IP(EA), eV:	-10.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-(1,1,1-trichloro-4-oxopentan-3-yl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)C(CC(Cl)(Cl)Cl)C1C(=O)CC(CC1=O)(C)C

DOS

IR

Vibrations