Geometry & MOs

Info

ID:	349696
PubChem CID:	127275848
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	323.141596
ΔH_f, kcal/mol:	30.78
Dipole, Da:	5.93
IP(EA), eV:	-9.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC2=NN=C3N2CCCC3

DOS

IR

Vibrations