Geometry & MOs

Info

ID:	1349
PubChem CID:	4212
Reduced:	N2O3C11H14 (2)
Stoich.:	A2B3C11D14 (2)
Weight, g/mol:	444.200885
ΔH_f, kcal/mol:	-193.57
Dipole, Da:	3.01
IP(EA), eV:	-7.8(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO

DOS

IR

Vibrations