Geometry & MOs

Info

ID:	258934
PubChem CID:	103157470
Reduced:	OSN5C12H19 (1)
Stoich.:	ABC5D12E19 (1)
Weight, g/mol:	267.115381
ΔH_f, kcal/mol:	35.59
Dipole, Da:	7.49
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NN2C(=NN=C2S1)C3CCCC3)CN

DOS

IR

Vibrations