Geometry & MOs

Info

ID:	66357
PubChem CID:	46504430
Reduced:	ClO5N6C20H23 (1)
Stoich.:	AB5C6D20E23 (1)
Weight, g/mol:	430.152872
ΔH_f, kcal/mol:	-1.13
Dipole, Da:	10.7
IP(EA), eV:	-9.11(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-1-(2-hydroxyethylamino)-9,10-dioxo-N-phenylanthracene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

DOS

IR

Vibrations