Geometry & MOs

Info

ID:	8581
PubChem CID:	79261
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	4.25
IP(EA), eV:	-10.15(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylnonane-4,6-dione

Drug info:

PubChemData

Smile

CCCC(=O)CC(=O)CC(C)C

DOS

IR

Vibrations