Geometry & MOs

Info

ID:

428037

PubChem CID:

135165794

Reduced:

NH7C11 (5)

Stoich.:

AB7C11 (5)

Weight, g/mol:

662.247047

ΔHf, kcal/mol:

295.96

Dipole, Da:

1.81

IP(EA), eV:

 -8.09(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-phenylphenyl)-14-(4-phenylquinazolin-2-yl)-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=CC=C(C=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C8=CC=CC=C8C=C7)C9=NC(=NC(=N9)C1=CC=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations