Geometry & MOs

Info

ID:	349816
PubChem CID:	127276208
Reduced:	OSN6C17H28 (1)
Stoich.:	ABC6D17E28 (1)
Weight, g/mol:	361.216555
ΔH_f, kcal/mol:	29.85
Dipole, Da:	3.47
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-oxo-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CN2CCCCC2)SC3=NN=NN3C4CC4

DOS

IR

Vibrations