Geometry & MOs

Info

ID:	337852
PubChem CID:	127258475
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	246.110338
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	2.72
IP(EA), eV:	-9.21(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-methoxy-5-methyl-3-oxoheptanedioic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C\OC

DOS

IR

Vibrations