Geometry & MOs

Info

ID:	193759
PubChem CID:	78434611
Reduced:	OSN2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	355.18441
ΔH_f, kcal/mol:	16.9
Dipole, Da:	6.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032018
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-N-[9-(thiophen-2-ylmethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)[NH+]2CC3=CC=CS3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations