Geometry & MOs

Info

ID:

428071

PubChem CID:

135165929

Reduced:

ON5H37C61 (1)

Stoich.:

AB5C37D61 (1)

Weight, g/mol:

703.237211

ΔHf, kcal/mol:

297.25

Dipole, Da:

1.95

IP(EA), eV:

 -8.11(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=C(C5=C3C6=CC=CC=C6C=C5)C7=C(C=C4)N(C8=CC=CC=C87)C9=NC(=NC(=N9)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations