Geometry & MOs

Info

ID:

193748

PubChem CID:

78434560

Reduced:

FSO2N6C25H28 (1)

Stoich.:

ABC2D6E25F28 (1)

Weight, g/mol:

349.227989

ΔHf, kcal/mol:

44.92

Dipole, Da:

5.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.192237

Charge, e:

 1

Chem-info

IUPAC name:

N-(9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations