Geometry & MOs

Info

ID:	208111
PubChem CID:	80496355
Reduced:	OSN4H10C13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	194.026232
ΔH_f, kcal/mol:	86.44
Dipole, Da:	2.58
IP(EA), eV:	-9.32(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2H-triazol-4-yl)-1,3-thiazol-5-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CC2=CSC(=N2)C3=NNN=C3

DOS

IR

Vibrations