Geometry & MOs

Info

ID:	21818
PubChem CID:	591594
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	7.68
IP(EA), eV:	-10.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7-tetramethyl-5H-oxocine-2,8-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC(=O)C(=C(C1)C)C)C

DOS

IR

Vibrations