Geometry & MOs

Info

ID:	346242
PubChem CID:	127270746
Reduced:	OSN5C15H25 (1)
Stoich.:	ABC5D15E25 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	5.91
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2CCN(CC2)C3CC3)C

DOS

IR

Vibrations