Geometry & MOs

Info

ID:

428039

PubChem CID:

135165865

Reduced:

ON5H37C61 (1)

Stoich.:

AB5C37D61 (1)

Weight, g/mol:

738.278347

ΔHf, kcal/mol:

293.13

Dipole, Da:

2.7

IP(EA), eV:

 -8.04(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4-phenylphenyl)-9-[4-(3-phenylphenyl)quinazolin-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)C3=NC(=NC(=N3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C9=CC=CC=C9C=C8)C1=CC=CC(=C1)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations