Geometry & MOs

Info

ID:	258114
PubChem CID:	103151138
Reduced:	F2N2O3C13H14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	271.076848
ΔH_f, kcal/mol:	-142.95
Dipole, Da:	3.77
IP(EA), eV:	-10.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[3-[2-(2,2-difluoroethoxy)ethyl]-2H-1,2,4-oxadiazol-5-ylidene]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=NC(=NO2)CCOCC(F)F)O

DOS

IR

Vibrations