Geometry & MOs

Info

ID:

52985

PubChem CID:

14709341

Reduced:

NH12C14 (1)

Stoich.:

AB12C14 (1)

Weight, g/mol:

194.096974

ΔHf, kcal/mol:

59.55

Dipole, Da:

1.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.212572

Charge, e:

 1

Chem-info

IUPAC name:

11-methylbenzo[a]quinolizin-5-ium

Drug info:

PubChemData

Smile

CC1=C[N+]2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations