Geometry & MOs

Info

ID:	399521
PubChem CID:	135040706
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	305.84024
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	1.36
IP(EA), eV:	-9.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E)-1,4-diiodobuta-1,3-diene

Drug info:

PubChemData

Smile

C[C@]12CC(=O)C([C@H]1CC(=O)C=C2)(C)C

DOS

IR

Vibrations