Geometry & MOs

Info

ID:	227886
PubChem CID:	87562857
Reduced:	NO5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-108.95
Dipole, Da:	3.52
IP(EA), eV:	-8.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(3-methoxyazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C=CC(=C1)C2CCC3(CC2)OOC4(CCCCC4)OO3)O

DOS

IR

Vibrations