Geometry & MOs

Info

ID:

14631

PubChem CID:

416403

Reduced:

NH18C20 (1)

Stoich.:

AB18C20 (1)

Weight, g/mol:

272.143925

ΔHf, kcal/mol:

62.39

Dipole, Da:

1.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.697730

Charge, e:

 1

Chem-info

IUPAC name:

7-ethyl-12-methylbenzo[a]acridin-7-ium

Drug info:

PubChemData

Smile

CC[N+]1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C41)C

DOS

IR

Vibrations