Geometry & MOs

Info

ID:	21235
PubChem CID:	587752
Reduced:	ClON5H6C8 (1)
Stoich.:	ABC5D6E8 (1)
Weight, g/mol:	223.026087
ΔH_f, kcal/mol:	48.79
Dipole, Da:	2.6
IP(EA), eV:	-10.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Cl)C(=O)NC2=NC=NN2

DOS

IR

Vibrations