Geometry & MOs

Info

ID:	313392
PubChem CID:	126614342
Reduced:	SN3H35C51 (1)
Stoich.:	AB3C35D51 (1)
Weight, g/mol:	381.84639
ΔH_f, kcal/mol:	233.41
Dipole, Da:	1.7
IP(EA), eV:	-7.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-diiodoquinoxaline

Drug info:

PubChemData

Smile

C1C=C2C(=C3C1C=CC4=C3C=CC(=C4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C15)SC(N2)C1=CC=CC=C1

DOS

IR

Vibrations