Geometry & MOs

Info

ID:	2853
PubChem CID:	8733
Reduced:	O2C12H19 (2)
Stoich.:	A2B12C19 (2)
Weight, g/mol:	390.27701
ΔH_f, kcal/mol:	-218.43
Dipole, Da:	2.05
IP(EA), eV:	-10.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-ethylhexyl) benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC

DOS

IR

Vibrations