Geometry & MOs

Info

ID:	18323
PubChem CID:	539645
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	5.21
IP(EA), eV:	-9.4(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(2-methylprop-1-enyl)hexane-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations