Geometry & MOs

Info

ID:	335448
PubChem CID:	127254310
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	228.96565
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	3.7
IP(EA), eV:	-8.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;5-chloro-2-(methoxymethyl)-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations