Geometry & MOs

Info

ID:	227899
PubChem CID:	87562918
Reduced:	KNaC3H4O4 (1)
Stoich.:	ABC3D4E4 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-253.65
Dipole, Da:	5.19
IP(EA), eV:	-6.64(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(2-morpholin-4-ylethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC(=O)O.[Na].[K]

DOS

IR

Vibrations