Geometry & MOs

Info

ID:

325002

PubChem CID:

126679165

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

237.78

Dipole, Da:

3.74

IP(EA), eV:

 -7.86(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-18-(4-phenylquinazolin-2-yl)-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC5=C4N(C6=CC=CC=C56)C7=NC8=CC=CC=C8C(=N7)C9=CC=CC=C9)C1=C3C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations