Geometry & MOs

Info

ID:	227608
PubChem CID:	87562079
Reduced:	OSN3H13C20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	421.142641
ΔH_f, kcal/mol:	93.45
Dipole, Da:	3.82
IP(EA), eV:	-8.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/C3=CC4=C(C=C3)C(=NN4)C5=CC=CS5)/C(=O)N2

DOS

IR

Vibrations