Geometry & MOs

Info

ID:	147314
PubChem CID:	53786970
Reduced:	O6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	546.267627
ΔH_f, kcal/mol:	-216.41
Dipole, Da:	4.18
IP(EA), eV:	-9.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis[1,4-bis(1,3-dioxolan-2-yl)butyl]hexanedioic acid

Drug info:

PubChemData

Smile

CCCC(=O)C1=C(OC(=C(C1=O)O)O)C(=O)CCC

DOS

IR

Vibrations