Geometry & MOs

Info

ID:	329772
PubChem CID:	127246639
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	274.125218
ΔH_f, kcal/mol:	46.74
Dipole, Da:	3.27
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=CC=CS3)C

DOS

IR

Vibrations