Geometry & MOs

Info

ID:	57585
PubChem CID:	22425581
Reduced:	ClN2O2H11C17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	461.169919
ΔH_f, kcal/mol:	29.49
Dipole, Da:	4.04
IP(EA), eV:	-8.44(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3=N2

DOS

IR

Vibrations