Geometry & MOs

Info

ID:	231392
PubChem CID:	87573610
Reduced:	O5H11C13 (2)
Stoich.:	A5B11C13 (2)
Weight, g/mol:	336.254278
ΔH_f, kcal/mol:	-302.85
Dipole, Da:	10.49
IP(EA), eV:	-10.64(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C2CC(C1C3C2C(=O)OC3=O)OC(=O)C4=CC=C(C=C4)C(=O)OC5CC6CC5C7C6C(=O)OC7=O

DOS

IR

Vibrations