Geometry & MOs

Info

ID:

324723

PubChem CID:

126678218

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

253.13

Dipole, Da:

4.21

IP(EA), eV:

 -7.75(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-10-(4-phenylquinazolin-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(C5=C3C=CC6=C5C7=CC=CC=C7N6C8=CC=C(C=C8)C9=NC1=CC=CC=C1C(=N9)C1=CC=CC=C1)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations