Geometry & MOs

Info

ID:

324775

PubChem CID:

126678325

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

262.41

Dipole, Da:

4.94

IP(EA), eV:

 -8.01(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C=CC7=C6C8=CC=CC=C8O7)C9=C5C1=C(C=C9)C2=CC=CC=C2N1C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations