Geometry & MOs

Info

ID:	127045
PubChem CID:	50988421
Reduced:	Cl2C3N5H9 (1)
Stoich.:	A2B3C5D9 (1)
Weight, g/mol:	291.036374
ΔH_f, kcal/mol:	1.83
Dipole, Da:	3.52
IP(EA), eV:	-9.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

C(CN)C1=NNN=N1.Cl.Cl

DOS

IR

Vibrations