Geometry & MOs

Info

ID:	172231
PubChem CID:	75482854
Reduced:	OSF3N3C11H16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-177.03
Dipole, Da:	4.24
IP(EA), eV:	-9.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN(CC(=O)N(C)C)CC(F)(F)F

DOS

IR

Vibrations