Geometry & MOs

Info

ID:	335439
PubChem CID:	127254301
Reduced:	ClON3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	157.048741
ΔH_f, kcal/mol:	-9.09
Dipole, Da:	1.76
IP(EA), eV:	-9.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1-methyl-1,2,4-triazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)OCCN)C#N.Cl

DOS

IR

Vibrations