Geometry & MOs

Info

ID:	14686
PubChem CID:	417714
Reduced:	NC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	166.159575
ΔH_f, kcal/mol:	43.31
Dipole, Da:	1.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756660
Charge, e:	1

Chem-info

IUPAC name:

3-propyl-3-azoniabicyclo[3.3.1]non-2-ene

Drug info:

PubChemData

Smile

CCC[N+]1=CC2CCCC(C2)C1

DOS

IR

Vibrations