Geometry & MOs

Info

ID:	432324
PubChem CID:	135172457
Reduced:	O7N9C48H55 (1)
Stoich.:	A7B9C48D55 (1)
Weight, g/mol:	334.86679
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	7.18
IP(EA), eV:	-8.32(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-diiodo-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCN5CCN(CC5)CCOC6=C7COC/C=C/COCC8=CC(=CC=C8)C9=NC(=NC=C9)NC(=C7)C=C6

DOS

IR

Vibrations