Geometry & MOs

Info

ID:	5037
PubChem CID:	12491
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	2.17
IP(EA), eV:	-10.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)C(=O)OCC

DOS

IR

Vibrations