Geometry & MOs

Info

ID:	9053
PubChem CID:	85646
Reduced:	O4C7H7 (2)
Stoich.:	A4B7C7 (2)
Weight, g/mol:	310.068867
ΔH_f, kcal/mol:	-319.15
Dipole, Da:	0.58
IP(EA), eV:	-11.22(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(ethoxycarbonyl)terephthalic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCC)C(=O)O

DOS

IR

Vibrations