Geometry & MOs

Info

ID:	1999
PubChem CID:	5536
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-250.55
Dipole, Da:	10.49
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C(=O)CCC(=O)O)OCC)OCC

DOS

IR

Vibrations