Geometry & MOs

Info

ID:	193764
PubChem CID:	78434616
Reduced:	OSN2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	371.179324
ΔH_f, kcal/mol:	14.18
Dipole, Da:	6.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.200164
Charge, e:	1

Chem-info

IUPAC name:

2-methoxy-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)C=CC4=CC=CC=C4

DOS

IR

Vibrations