Geometry & MOs

Info

ID:	291687
PubChem CID:	113459605
Reduced:	OSN3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	4.91
IP(EA), eV:	-8.47(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-ethyl-2-(3-methylpyridin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2CN(CCO2)CC)CNC

DOS

IR

Vibrations