Geometry & MOs

Info

ID:	44754
PubChem CID:	10505749
Reduced:	IOPH20C26 (1)
Stoich.:	ABCD20E26 (1)
Weight, g/mol:	506.018638
ΔH_f, kcal/mol:	54.88
Dipole, Da:	3.89
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-1,5-dimethyl-1,5-diphosphonane-1,5-diium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)I)C4=CC=CC=C4

DOS

IR

Vibrations