Geometry & MOs

Info

ID:	349782
PubChem CID:	127276174
Reduced:	ClON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	6.9
Dipole, Da:	4.27
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)CC3=CNC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations