Geometry & MOs

Info

ID:	441871
PubChem CID:	135246245
Reduced:	OF2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	401.166331
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	5.84
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)-3,4-dimethyltriazolidin-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=CC(C(=NC(=NC)C1=C(C=CC(=C1)F)F)C)N=NC)CCOC

DOS

IR

Vibrations