Geometry & MOs

Info

ID:	405849
PubChem CID:	135075627
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	228.051047
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	2.82
IP(EA), eV:	-8.8(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC(=O)N1C2CCOCC2C3=CC=CC=C31

DOS

IR

Vibrations