Geometry & MOs

Info

ID:

324731

PubChem CID:

126678234

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

249.37

Dipole, Da:

4.36

IP(EA), eV:

 -7.99(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C5C6=CC=CC=C6OC5=C4)C7=C3C8=C(C=C7)N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations