Geometry & MOs

Info

ID:

428069

PubChem CID:

135165927

Reduced:

ON5H33C55 (1)

Stoich.:

AB5C33D55 (1)

Weight, g/mol:

662.247047

ΔHf, kcal/mol:

266.64

Dipole, Da:

2.54

IP(EA), eV:

 -8.03(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-phenyl-9-[4-(4-phenylphenyl)quinazolin-2-yl]-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=CC(=CC=C2)N3C4=C(C5=C3C6=CC=CC=C6C=C5)C7=C(C=C4)N(C8=CC=CC=C87)C9=NC(=NC(=N9)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations