Geometry & MOs

Info

ID:	142809
PubChem CID:	53095155
Reduced:	FSN2O2H21C25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	339.088688
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	5.65
IP(EA), eV:	-8.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)SC5=CC=CC=C5C2=O

DOS

IR

Vibrations