Geometry & MOs

Info

ID:	413245
PubChem CID:	135086192
Reduced:	OCl3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	215.987548
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	3.18
IP(EA), eV:	-10.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trichloro-3-methylhexan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations