Geometry & MOs

Info

ID:	14016
PubChem CID:	401540
Reduced:	O7C16H22 (1)
Stoich.:	A7B16C22 (1)
Weight, g/mol:	326.136553
ΔH_f, kcal/mol:	-316.83
Dipole, Da:	6.14
IP(EA), eV:	-10.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,5-dioxo-1-(3-oxobutyl)cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)C(CC1=O)(CCC(=O)C)C(=O)OCC

DOS

IR

Vibrations