Geometry & MOs

Info

ID:

319775

PubChem CID:

126657268

Reduced:

N16O20H58C65 (1)

Stoich.:

A16B20C58D65 (1)

Weight, g/mol:

294.267114

ΔHf, kcal/mol:

223.43

Dipole, Da:

32.53

IP(EA), eV:

 -6.55(-2.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-hexylnonyl)-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCCCCCCC2=C(C(=CC(=C2)N=NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CC4=C(C(=CC(=C4)N=NC5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])CC6=CC(=CC(=C6O)CC7=CC(=CC(=C7O)CCCCCC1)N=NC8=CC(=CC(=C8)[N+](=O)[O-])[N+](=O)[O-])N=NC9=CC(=CC(=C9)[N+](=O)[O-])[N+](=O)[O-])O)O

DOS

IR

Vibrations