Geometry & MOs

Info

ID:

428106

PubChem CID:

135166104

Reduced:

NH7C11 (5)

Stoich.:

AB7C11 (5)

Weight, g/mol:

779.268511

ΔHf, kcal/mol:

290.12

Dipole, Da:

5.23

IP(EA), eV:

 -7.92(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-dibenzofuran-3-ylquinazolin-2-yl)-14-(4,6-diphenylpyridin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=CC=CC=C98)C1=CC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations