Geometry & MOs

Info

ID:

428030

PubChem CID:

135165787

Reduced:

ON5H29C49 (1)

Stoich.:

AB5C29D49 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

247.81

Dipole, Da:

1.13

IP(EA), eV:

 -8.04(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4-dibenzofuran-3-ylquinazolin-2-yl)-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]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=NC(=NC(=N2)N3C4=C(C5=CC=CC=C5C=C4)C6=C3C=CC7=C6C8=CC=CC=C8N7C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations