Geometry & MOs

Info

ID:	413244
PubChem CID:	135086191
Reduced:	SO4C9H10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	286.065798
ΔH_f, kcal/mol:	-121.27
Dipole, Da:	4.66
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trichlorododecan-2-one

Drug info:

PubChemData

Smile

COC(C(=O)C1=CC=CS1)C(=O)OC

DOS

IR

Vibrations