Geometry & MOs

Info

ID:	165617
PubChem CID:	74576189
Reduced:	SN2O6C26H30 (1)
Stoich.:	AB2C6D26E30 (1)
Weight, g/mol:	405.205729
ΔH_f, kcal/mol:	-204.18
Dipole, Da:	3.37
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-5-chloro-2-[1-[(4-methyl-1H-imidazol-1-ium-2-yl)methyl]piperidin-4-yl]oxybenzamide

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCN(CCN2C(=O)C=C1OCC3=CC=CS3)CC4=COC5CCCCC5C4=O

DOS

IR

Vibrations