Geometry & MOs

Info

ID:	18266
PubChem CID:	539292
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	5.68
IP(EA), eV:	-9.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3-(3-methylbut-2-enylidene)octane-2,7-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations