Geometry & MOs

Info

ID:	400529
PubChem CID:	135048256
Reduced:	BLiC28H28 (1)
Stoich.:	ABC28D28 (1)
Weight, g/mol:	239.96473
ΔH_f, kcal/mol:	31.35
Dipole, Da:	6.28
IP(EA), eV:	-8.26(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-4-iodo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

Drug info:

PubChemData

Smile

[Li+].[B-](CC1=CC=CC=C1)(CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations