Geometry & MOs

Info

ID:	384094
PubChem CID:	134976322
Reduced:	NO3C24H39 (1)
Stoich.:	AB3C24D39 (1)
Weight, g/mol:	485.86137
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	3.18
IP(EA), eV:	-9.77(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis(2-iodophenyl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C[C@]1(C2(C3(C2(C3(O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations