Geometry & MOs

Info

ID:

52982

PubChem CID:

14709337

Reduced:

NH14C15 (1)

Stoich.:

AB14C15 (1)

Weight, g/mol:

194.096974

ΔHf, kcal/mol:

53.57

Dipole, Da:

1.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.165733

Charge, e:

 1

Chem-info

IUPAC name:

1-methylbenzo[a]quinolizin-5-ium

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=CC=CC=C3C=C[N+]2=C1)C

DOS

IR

Vibrations