Geometry & MOs

Info

ID:	291688
PubChem CID:	113459626
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	40.34
Dipole, Da:	5.43
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-ethyl-2-(6-methylpyridin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2=C(C=NC=C2)C)CNCC

DOS

IR

Vibrations