Geometry & MOs

Info

ID:	257456
PubChem CID:	103146331
Reduced:	F2N3O3C13H21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	300.11463
ΔH_f, kcal/mol:	-181.1
Dipole, Da:	3.72
IP(EA), eV:	-9.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(azetidin-3-yl)triazol-4-yl]-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CNCCC1OCCC2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations