Geometry & MOs

Info

ID:

408340

PubChem CID:

135081106

Reduced:

HN4F20C32 (2)

Stoich.:

AB4C20D32 (2)

Weight, g/mol:

532.325253

ΔHf, kcal/mol:

-1319.0

Dipole, Da:

5.62

IP(EA), eV:

 -9.28(-3.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-chloro-4,5,9,10,14,15-hexapropyl-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

C1(=C(C2=NC3=NC(=NC4=C(C(=C(N4)N=C5C(=C(C(=N5)N=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F)C(=C3C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations