Geometry & MOs

Info

ID:	227333
PubChem CID:	87561325
Reduced:	F2O3N7C22H23 (1)
Stoich.:	A2B3C7D22E23 (1)
Weight, g/mol:	424.88854
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	2.82
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-bromophenyl)-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)iodanium

Drug info:

PubChemData

Smile

C1CN(CCC1CNCC(F)F)C2=NC(=NC3=C2OC=C3)NC4=CC5=C(C=C4)C=NN5C(=O)O

DOS

IR

Vibrations