Geometry & MOs

Info

ID:	172391
PubChem CID:	75503738
Reduced:	ON5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	341.01752
ΔH_f, kcal/mol:	99.61
Dipole, Da:	7.82
IP(EA), eV:	-9.83(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-5-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)C2=CC=CC=C2N3C=CN=N3)C4=CC=NC=C4

DOS

IR

Vibrations