Geometry & MOs

Info

ID:	258930
PubChem CID:	103157460
Reduced:	OSN5C13H21 (1)
Stoich.:	ABC5D13E21 (1)
Weight, g/mol:	283.110296
ΔH_f, kcal/mol:	26.95
Dipole, Da:	6.53
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NN2C(=NN=C2S1)C3CCCCC3)CN

DOS

IR

Vibrations