Geometry & MOs

Info

ID:	18236
PubChem CID:	539027
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	0.97
IP(EA), eV:	-9.55(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(but-2-enyl)pentane-2,4-dione

Drug info:

PubChemData

Smile

CC=CCC(CC=CC)(C(=O)C)C(=O)C

DOS

IR

Vibrations