Geometry & MOs

Info

ID:

428073

PubChem CID:

135165940

Reduced:

ON5H37C61 (1)

Stoich.:

AB5C37D61 (1)

Weight, g/mol:

878.304562

ΔHf, kcal/mol:

289.48

Dipole, Da:

3.39

IP(EA), eV:

 -8.02(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-dibenzofuran-3-ylquinazolin-2-yl)-10-(3,5-diphenylphenyl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C=CC9=CC=CC=C98)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations