Geometry & MOs

Info

ID:	329773
PubChem CID:	127246640
Reduced:	SN4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	274.125218
ΔH_f, kcal/mol:	56.58
Dipole, Da:	3.14
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=CSC=N3)C

DOS

IR

Vibrations