Geometry & MOs

Info

ID:	35923
PubChem CID:	7980506
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	413.066615
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	1.17
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-morpholin-4-yl-2-oxoethyl) 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations