Geometry & MOs

Info

ID:	257466
PubChem CID:	103146388
Reduced:	F2O2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	275.144533
ΔH_f, kcal/mol:	-105.13
Dipole, Da:	6.13
IP(EA), eV:	-9.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=NC(=NO2)CCOCC(F)F)CCN

DOS

IR

Vibrations