Geometry & MOs

Info

ID:	381607
PubChem CID:	134972396
Reduced:	OH4C7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	832.320725
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	3.56
IP(EA), eV:	-9.92(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[4-[5-(4-azaniumylcyclohexanecarbonyl)oxy-1,5-bis(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)pentoxy]carbonylcyclohexyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3C=CC(C2=O)C4=C3C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations