Geometry & MOs

Info

ID:	40593
PubChem CID:	8144390
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	251.096657
ΔH_f, kcal/mol:	-1.23
Dipole, Da:	3.38
IP(EA), eV:	-8.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(morpholin-4-ium-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-thione

Drug info:

PubChemData

Smile

CO/C=C/[C@@H]1CC(=NO1)C2=CC=CC=C2

DOS

IR

Vibrations