Geometry & MOs

Info

ID:	198063
PubChem CID:	79040350
Reduced:	ON5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	265.016666
ΔH_f, kcal/mol:	58.1
Dipole, Da:	3.79
IP(EA), eV:	-10.29(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-3-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=NC(=NO2)C3=NC=NN3

DOS

IR

Vibrations