Geometry & MOs

Info

ID:	175073
PubChem CID:	75851181
Reduced:	Cl2N2O2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	441.144191
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	3.64
IP(EA), eV:	-9.39(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[8-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-4H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-2-yl]-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)OCC(=C)Cl)Cl)CC2=CC=CC=C2

DOS

IR

Vibrations