Geometry & MOs

Info

ID:	128187
PubChem CID:	51034294
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	7.51
IP(EA), eV:	-9.13(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)OCC3=CC(=NC=C3)C4=CC=CC=C4)C(=O)NO

DOS

IR

Vibrations