Geometry & MOs

Info

ID:	335443
PubChem CID:	127254305
Reduced:	BrO2C4N4H5 (1)
Stoich.:	AB2C4D4E5 (1)
Weight, g/mol:	270.015582
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	2.2
IP(EA), eV:	-9.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-1,2,4-triazol-1-yl)pyridine;oxalic acid

Drug info:

PubChemData

Smile

C(C(=O)O)N1C(=NC(=N1)Br)N

DOS

IR

Vibrations