Geometry & MOs

Info

ID:	209096
PubChem CID:	80623490
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	231.104148
ΔH_f, kcal/mol:	37.24
Dipole, Da:	6.43
IP(EA), eV:	-9.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1=NN=C(S1)OCC2=CC=CC=C2

DOS

IR

Vibrations