Geometry & MOs

Info

ID:	208110
PubChem CID:	80496354
Reduced:	O3N6H10C11 (1)
Stoich.:	A3B6C10D11 (1)
Weight, g/mol:	270.057532
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	6.48
IP(EA), eV:	-8.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=C(C(=C2)NC(=O)C3=NNN=C3)N

DOS

IR

Vibrations