Geometry & MOs

Info

ID:	227900
PubChem CID:	87562930
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	435.133139
ΔH_f, kcal/mol:	47.08
Dipole, Da:	0.93
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(pyridine-3-carbonylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=C(C=C(C=N2)C3=CC=C(C=C3)C#CC4=CN=CC=C4)C(=O)NO

DOS

IR

Vibrations