Geometry & MOs

Info

ID:	390785
PubChem CID:	135000935
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	272.162374
ΔH_f, kcal/mol:	-147.57
Dipole, Da:	1.99
IP(EA), eV:	-9.44(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(4-oxoheptan-2-yl)propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C(C)CC1=CC=CC=C1CO

DOS

IR

Vibrations