Geometry & MOs

Info

ID:	359796
PubChem CID:	127299840
Reduced:	SN5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	351.151767
ΔH_f, kcal/mol:	80.37
Dipole, Da:	2.76
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCCC(C3)C4=NC(=CS4)C

DOS

IR

Vibrations