Geometry & MOs

Info

ID:	163246
PubChem CID:	57655012
Reduced:	OH8C9 (1)
Stoich.:	AB8C9 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	70.92
Dipole, Da:	3.32
IP(EA), eV:	-9.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-phenylbutyl)hexane-2,5-dione

Drug info:

PubChemData

Smile

CC#CC#CC#CC(C)O

DOS

IR

Vibrations