Geometry & MOs

Info

ID:	122091
PubChem CID:	50793784
Reduced:	FON3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	290.154289
ΔH_f, kcal/mol:	19.11
Dipole, Da:	1.94
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-oxadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)OCC3=CC=CC=C3F)C4=CC=CC=C4)C

DOS

IR

Vibrations