Geometry & MOs

Info

ID:	46228
PubChem CID:	10523393
Reduced:	O2N7C18H27 (1)
Stoich.:	A2B7C18D27 (1)
Weight, g/mol:	373.83007
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	4.23
IP(EA), eV:	-8.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-diiodo-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)NC2=C(C=C(C=C2)OC)OC)NCN3CCN(CC3)C

DOS

IR

Vibrations