Geometry & MOs

Info

ID:	349795
PubChem CID:	127276187
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	-125.57
Dipole, Da:	9.05
IP(EA), eV:	-8.92(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CSCN1C(=O)C2CCCOC2

DOS

IR

Vibrations