Geometry & MOs

Info

ID:	359795
PubChem CID:	127299839
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	365.167417
ΔH_f, kcal/mol:	-2.16
Dipole, Da:	2.29
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC(CC3)OC4CCCC4

DOS

IR

Vibrations