Geometry & MOs

Info

ID:	127046
PubChem CID:	50988422
Reduced:	SCl2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	219.083019
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	8.46
IP(EA), eV:	-9.61(-1.32)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations