Geometry & MOs

Info

ID:

310284

PubChem CID:

126577997

Reduced:

NH7C12 (4)

Stoich.:

AB7C12 (4)

Weight, g/mol:

509.152812

ΔHf, kcal/mol:

272.22

Dipole, Da:

0.92

IP(EA), eV:

 -8.18(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-dibenzofuran-2-yl-3,14,16-triazaheptacyclo[14.10.1.02,15.04,13.05,10.017,22.023,27]heptacosa-1(26),2,4(13),5,7,9,11,14,17,19,21,23(27),24-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(N3C5=CC6=C(C=C5)N7C8=C(C9=CC=CC=C9C=C68)C1=NC2=CC=CC=C2N=C17)C=C(C=C4)C1=CC=CC=C1

DOS

IR

Vibrations