Geometry & MOs

Info

ID:	231459
PubChem CID:	87573781
Reduced:	O3C22H37 (2)
Stoich.:	A3B22C37 (2)
Weight, g/mol:	210.052823
ΔH_f, kcal/mol:	-387.85
Dipole, Da:	4.56
IP(EA), eV:	-9.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)OC(=O)C1=C(C(=C(C=C1)CCCCCCCC)CCCCCCCC)C(=O)OC(=O)CCCCCCCCC

DOS

IR

Vibrations