Geometry & MOs

Info

ID:	352794
PubChem CID:	127283883
Reduced:	OSN8C16H18 (1)
Stoich.:	ABC8D16E18 (1)
Weight, g/mol:	327.126615
ΔH_f, kcal/mol:	98.61
Dipole, Da:	7.02
IP(EA), eV:	-9.44(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrimidin-2-yl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CN4CCCC(C4)N5C=NC=N5

DOS

IR

Vibrations