Geometry & MOs

Info

ID:	441250
PubChem CID:	135233819
Reduced:	NOH41C53 (1)
Stoich.:	ABC41D53 (1)
Weight, g/mol:	421.86646
ΔH_f, kcal/mol:	184.66
Dipole, Da:	4.27
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-diiodo-4,4a-dihydrodibenzofuran

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=C3)C4=CC=CCC4)C5=C6C(=CC=C5)OC7=C6C=C(C=C7)C8=CC=C(C=C8)C9CC=CC(=C9)C1=CC=CC=C1

DOS

IR

Vibrations