Geometry & MOs

Info

ID:

438490

PubChem CID:

135228232

Reduced:

F3O3N7H14C18 (1)

Stoich.:

A3B3C7D14E18 (1)

Weight, g/mol:

383.08975

ΔHf, kcal/mol:

-103.65

Dipole, Da:

4.35

IP(EA), eV:

 -9.98(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[17-chloro-9-(methoxymethyl)-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

CC1=NOC(=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=CC(=C5)OC(F)(F)F)COC

DOS

IR

Vibrations