Geometry & MOs

Info

ID:	13582
PubChem CID:	301213
Reduced:	O3H8C9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	328.094688
ΔH_f, kcal/mol:	-229.99
Dipole, Da:	5.16
IP(EA), eV:	-8.88(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9,10-dihydroxy-1,4-dioxo-2,3-dihydroanthracen-2-yl)butanoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)C2=C(C3=CC=CC=C3C(=C2C1=O)O)O)CCCC(=O)O

DOS

IR

Vibrations