Geometry & MOs

Info

ID:

436860

PubChem CID:

135212375

Reduced:

N2H13C21 (2)

Stoich.:

A2B13C21 (2)

Weight, g/mol:

677.221561

ΔHf, kcal/mol:

240.24

Dipole, Da:

4.2

IP(EA), eV:

 -7.92(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-dibenzofuran-1-yl-16-(4-phenylquinazolin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC=CC=C4C5=CC=CC=C5N3C6=C2C7=CC=CC=C7N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1

DOS

IR

Vibrations