Geometry & MOs

Info

ID:	329776
PubChem CID:	127246643
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	288.140868
ΔH_f, kcal/mol:	1.11
Dipole, Da:	4.33
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC=CN3C)C

DOS

IR

Vibrations