Geometry & MOs

Info

ID:	18270
PubChem CID:	539328
Reduced:	OCl3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	201.971898
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	2.84
IP(EA), eV:	-10.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,5-trichloro-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC(CCl)C(C(=O)C)(Cl)Cl

DOS

IR

Vibrations