Geometry & MOs

Info

ID:

52983

PubChem CID:

14709339

Reduced:

NH12C14 (1)

Stoich.:

AB12C14 (1)

Weight, g/mol:

293.045486

ΔHf, kcal/mol:

62.32

Dipole, Da:

0.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.189338

Charge, e:

 0

Chem-info

IUPAC name:

7-methylbenzo[a]quinolizin-5-ium;perchlorate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations