Geometry & MOs

Info

ID:

407907

PubChem CID:

135080662

Reduced:

BON6H15C25 (1)

Stoich.:

ABC6D15E25 (1)

Weight, g/mol:

1120.269609

ΔHf, kcal/mol:

100.87

Dipole, Da:

3.38

IP(EA), eV:

 -7.61(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-tert-butylphenoxy)-4,5,9,10,14,15-hexakis(4-nitrophenyl)-7,12,17,18,19-pentaza-2-azonia-1-boranuidahexacyclo[9.6.1.13,16.02,6.08,18.013,17]nonadeca-2(6),3(19),4,7,9,11,13,15-octaene

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC=CC5=C3N=C6[N+]1=C(C7=CC=CC=C76)N=C8N2C(=N4)C9=CC=CC=C98)OC

DOS

IR

Vibrations