Geometry & MOs

Info

ID:	121041
PubChem CID:	50754019
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	421.123798
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	3.95
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(CCC4)N(C3=N2)CC(=O)NCC5=CC=C(C=C5)OC

DOS

IR

Vibrations