Geometry & MOs

Info

ID:

231697

PubChem CID:

87574464

Reduced:

AsON5C25H26 (1)

Stoich.:

ABC5D25E26 (1)

Weight, g/mol:

711.06491

ΔHf, kcal/mol:

155.31

Dipole, Da:

4.87

IP(EA), eV:

 -8.27(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1,1-diacetyloxy-3-oxo-1lambda5,2-benziodoxol-1-yl) acetate;1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(C=C2)NC3=NN4C(=N3)C=CC=C4C5=CC=CC(=C5)C[As]

DOS

IR

Vibrations