Geometry & MOs

Info

ID:	174762
PubChem CID:	75812105
Reduced:	ON5C26H36 (1)
Stoich.:	AB5C26D36 (1)
Weight, g/mol:	398.22438
ΔH_f, kcal/mol:	10.29
Dipole, Da:	4.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.134340
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-[2-[[4-[(2-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC2=CC=C(C=C2)CNC(=O)CCC3=C(N4C(=CC(=N4)C)N=C3C)C

DOS

IR

Vibrations