Geometry & MOs

Info

ID:	58843
PubChem CID:	24714942
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	319.169605
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	3.16
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxo-1-piperidin-4-ylethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCCNCC1=NC2=C(C3=C(S2)CCC3)C(=O)N1

DOS

IR

Vibrations