Geometry & MOs

Info

ID:

305081

PubChem CID:

124766502

Reduced:

NC14H24 (1)

Stoich.:

AB14C24 (1)

Weight, g/mol:

206.190875

ΔHf, kcal/mol:

17.65

Dipole, Da:

0.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752534

Charge, e:

 1

Chem-info

IUPAC name:

(5R,10bS)-5,10b-dimethyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizin-5-ium

Drug info:

PubChemData

Smile

C[C@]12CCCC[N@@+]1(CCC3=C2CCC3)C

DOS

IR

Vibrations