Geometry & MOs

Info

ID:	138423
PubChem CID:	52365180
Reduced:	F2N3O3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	360.14788
ΔH_f, kcal/mol:	-141.64
Dipole, Da:	15.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.088698
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=N3)OC(F)F

DOS

IR

Vibrations