Geometry & MOs

Info

ID:	14673
PubChem CID:	417291
Reduced:	O8C39H60 (1)
Stoich.:	A8B39C60 (1)
Weight, g/mol:	656.428819
ΔH_f, kcal/mol:	-372.32
Dipole, Da:	0.45
IP(EA), eV:	-9.97(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCCCC)O)O

DOS

IR

Vibrations