Geometry & MOs

Info

ID:	127047
PubChem CID:	50988423
Reduced:	SN3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	305.052024
ΔH_f, kcal/mol:	59.5
Dipole, Da:	2.76
IP(EA), eV:	-9.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=CSC(=N2)CCCN

DOS

IR

Vibrations