Geometry & MOs

Info

ID:	168962
PubChem CID:	75046353
Reduced:	ClO5N6C31H31 (1)
Stoich.:	AB5C6D31E31 (1)
Weight, g/mol:	392.98619
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	4.83
IP(EA), eV:	-8.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-iodo-9-oxo-4H-acridine-4-carboxylate

Drug info:

PubChemData

Smile

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)NC(=O)C5CCCN5C(=O)C=C

DOS

IR

Vibrations