Geometry & MOs

Info

ID:	175713
PubChem CID:	75940411
Reduced:	ON2F3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	408.232088
ΔH_f, kcal/mol:	-205.82
Dipole, Da:	3.55
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-piperidin-1-ylsulfonyl-N-[(1-propan-2-ylpiperidin-1-ium-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations