Geometry & MOs

Info

ID:	272126
PubChem CID:	103725888
Reduced:	ClO2N4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	233.091275
ΔH_f, kcal/mol:	-8.92
Dipole, Da:	4.25
IP(EA), eV:	-9.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations