Geometry & MOs

Info

ID:	257464
PubChem CID:	103146377
Reduced:	F2O2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	315.100618
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	5.3
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)C2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations