Geometry & MOs

Info

ID:	130262
PubChem CID:	51075423
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	6.0
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(C(=O)NC2=CC=CC=C21)CCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations