Geometry & MOs

Info

ID:	366062
PubChem CID:	127319385
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	23.55
Dipole, Da:	1.53
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclopentylethyl)-3-(oxan-4-ylmethylsulfanyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC=N2)SCC3CCOCC3

DOS

IR

Vibrations