Geometry & MOs

Info

ID:

193758

PubChem CID:

78434610

Reduced:

ClO2N3C18H21 (1)

Stoich.:

AB2C3D18E21 (1)

Weight, g/mol:

341.16876

ΔHf, kcal/mol:

-52.68

Dipole, Da:

2.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.860677

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations