Geometry & MOs

Info

ID:

428063

PubChem CID:

135165921

Reduced:

N5H31C49 (1)

Stoich.:

A5B31C49 (1)

Weight, g/mol:

814.309647

ΔHf, kcal/mol:

266.61

Dipole, Da:

3.21

IP(EA), eV:

 -7.82(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3,5-diphenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]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)C3=CC(=CC=C3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C=CC9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations