Geometry & MOs

Info

ID:	6063
PubChem CID:	14381
Reduced:	CaN4O4I6C24H24 (1)
Stoich.:	AB4C4D6E24F24 (1)
Weight, g/mol:	1233.5692
ΔH_f, kcal/mol:	-3.11
Dipole, Da:	16.66
IP(EA), eV:	-7.97(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate

Drug info:

PubChemData

Smile

CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Ca+2]

DOS

IR

Vibrations