Geometry & MOs

Info

ID:	335449
PubChem CID:	127254311
Reduced:	ClKN3O3C5H5 (1)
Stoich.:	ABC3D3E5F5 (1)
Weight, g/mol:	191.009769
ΔH_f, kcal/mol:	-114.54
Dipole, Da:	12.98
IP(EA), eV:	-9.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(methoxymethyl)-1,2,4-triazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COCN1C(=NC(=N1)Cl)C(=O)[O-].[K+]

DOS

IR

Vibrations