Geometry & MOs

Info

ID:	269783
PubChem CID:	103619020
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	1.93
IP(EA), eV:	-10.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyacetyl)-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1(CC(=O)C(C(=O)C1)C(=O)C2=CC=CO2)C

DOS

IR

Vibrations