Geometry & MOs

Info

ID:	203238
PubChem CID:	79797843
Reduced:	O2F3N3C12H14 (1)
Stoich.:	A2B3C3D12E14 (1)
Weight, g/mol:	235.11209
ΔH_f, kcal/mol:	-227.5
Dipole, Da:	1.75
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)NC)(C(F)(F)F)N

DOS

IR

Vibrations