Geometry & MOs

Info

ID:

438493

PubChem CID:

135228235

Reduced:

FON2H5C6 (3)

Stoich.:

ABC2D5E6 (3)

Weight, g/mol:

425.160023

ΔHf, kcal/mol:

-147.1

Dipole, Da:

4.46

IP(EA), eV:

 -9.6(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[9-(methoxymethyl)-15-phenyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)OC(F)(F)F)C5=NCCO5

DOS

IR

Vibrations