Geometry & MOs

Info

ID:

408081

PubChem CID:

135080836

Reduced:

BON6H23C42 (1)

Stoich.:

ABC6D23E42 (1)

Weight, g/mol:

1982.09197

ΔHf, kcal/mol:

490.26

Dipole, Da:

10.95

IP(EA), eV:

 -8.48(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5,9,10,14,15,19,20,24,25-decakis(4-tert-butylphenyl)-2,7,12,17,22,26,27,29-octaza-28,30-diazanidahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1,3,5,7,9,11(29),12,14,16,18(27),19,21,23(26),24-tetradecaene;dioxouranium(2+)

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC6=CC=CC=C6C5=C3N=C7N1C(=NC8=[N+]2C(=N4)C9=C8C=CC1=CC=CC=C19)C1=C7C=CC2=CC=CC=C21)OC1=CC=CC=C1

DOS

IR

Vibrations