Geometry & MOs

Info

ID:	7702
PubChem CID:	73763
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	1.38
IP(EA), eV:	-10.25(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butylpentane-2,4-dione

Drug info:

PubChemData

Smile

CCCCC(C(=O)C)C(=O)C

DOS

IR

Vibrations