Geometry & MOs

Info

ID:	447141
PubChem CID:	135280630
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	466.90905
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	3.24
IP(EA), eV:	-8.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-diiodo-3-[5-(oxiran-2-ylmethoxy)pentyl]-1,4,2-dioxazole

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/N(CC1=NC=C(C=C1)C(=O)OC)C(=O)C2=CC=NC=C2

DOS

IR

Vibrations