Geometry & MOs

Info

ID:

14885

PubChem CID:

423481

Reduced:

NO4H14C17 (1)

Stoich.:

AB4C14D17 (1)

Weight, g/mol:

296.092283

ΔHf, kcal/mol:

-105.93

Dipole, Da:

5.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.975758

Charge, e:

 1

Chem-info

IUPAC name:

2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=[N+]34)C(=O)O)C(=O)O

DOS

IR

Vibrations