Geometry & MOs

Info

ID:	216632
PubChem CID:	85086527
Reduced:	ClNOC6H6 (2)
Stoich.:	ABCD6E6 (2)
Weight, g/mol:	285.063722
ΔH_f, kcal/mol:	5.43
Dipole, Da:	2.18
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-8-hydroxy-5H-phenanthridine-2,3,7-trione

Drug info:

PubChemData

Smile

C#CCCCOC1=C(C=C(C=C1Cl)C(=NO)N)Cl

DOS

IR

Vibrations