Geometry & MOs

Info

ID:	393509
PubChem CID:	135020874
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	228.175225
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	3.48
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-3-ethenyl-1-azoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)CN(C)C(=O)CC(C)C

DOS

IR

Vibrations