Geometry & MOs

Info

ID:

438561

PubChem CID:

135228304

Reduced:

ClON8H23C24 (1)

Stoich.:

ABC8D23E24 (1)

Weight, g/mol:

459.181901

ΔHf, kcal/mol:

156.83

Dipole, Da:

4.26

IP(EA), eV:

 -8.25(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-ethyl-3-[5-[(4-fluorophenyl)methyl]-16-methoxy-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-2,5-dihydro-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2=C3CC4=C(NN(N4C5=C(N3C=N2)C=CC(=C5)Cl)C)CC6=CC=CC=N6

DOS

IR

Vibrations