Geometry & MOs

Info

ID:	35929
PubChem CID:	7980512
Reduced:	ClNO4H20C23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	411.08735
ΔH_f, kcal/mol:	-101.74
Dipole, Da:	3.88
IP(EA), eV:	-9.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-piperidin-1-ylethyl) 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations