Geometry & MOs

Info

ID:	66359
PubChem CID:	46504439
Reduced:	N2O5H22C25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	451.174336
ΔH_f, kcal/mol:	-108.87
Dipole, Da:	3.59
IP(EA), eV:	-8.74(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-(2-hydroxyethylamino)-9,10-dioxoanthracene-2-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO

DOS

IR

Vibrations