Geometry & MOs

Info

ID:	209100
PubChem CID:	80623504
Reduced:	OSN3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	3.95
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCOC1=NN=C(S1)CNCC

DOS

IR

Vibrations