Geometry & MOs

Info

ID:	10722
PubChem CID:	107321
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-206.71
Dipole, Da:	1.32
IP(EA), eV:	-10.78(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-methylbutanedioate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C(=O)OCC

DOS

IR

Vibrations