Geometry & MOs

Info

ID:	372877
PubChem CID:	131306493
Reduced:	ClSN2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	48.53
Dipole, Da:	2.85
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CC#N)C(=C(S2)CCl)N

DOS

IR

Vibrations