Geometry & MOs

Info

ID:	8329
PubChem CID:	76466
Reduced:	O8C13H20 (1)
Stoich.:	A8B13C20 (1)
Weight, g/mol:	304.115818
ΔH_f, kcal/mol:	-364.57
Dipole, Da:	4.65
IP(EA), eV:	-10.56(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-carboxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C2(COC(O1)CCC(=O)O)COC(OC2)CCC(=O)O

DOS

IR

Vibrations