Geometry & MOs

Info

ID:	395317
PubChem CID:	135025191
Reduced:	OSH14C17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	214.97392
ΔH_f, kcal/mol:	39.36
Dipole, Da:	1.52
IP(EA), eV:	-9.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

5-methylhexane-1,3-dione;yttrium

Drug info:

PubChemData

Smile

CC(=O)SC(C#CC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations