Geometry & MOs

Info

ID:	250345
PubChem CID:	103095890
Reduced:	ClOF2N2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	255.057468
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	5.63
IP(EA), eV:	-10.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(5-fluoropyridin-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C=CC(=C2F)C)F)Cl

DOS

IR

Vibrations