Geometry & MOs

Info

ID:	132091
PubChem CID:	51304499
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	384.098015
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	7.04
IP(EA), eV:	-8.96(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(1-propan-2-yltetrazol-5-yl)sulfanylethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NCCC2=NN=C3N2CCCCC3

DOS

IR

Vibrations