Geometry & MOs

Info

ID:	355450
PubChem CID:	127288513
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	341.105879
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	6.65
IP(EA), eV:	-9.65(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-pyrazin-2-yl-1,3-thiazol-4-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCCOC2)N3C=NC=N3

DOS

IR

Vibrations