Geometry & MOs

Info

ID:

325001

PubChem CID:

126679163

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

249.06

Dipole, Da:

4.86

IP(EA), eV:

 -7.86(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-18-(4-phenylquinazolin-2-yl)-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C=C6C(=C5)C7=CC=CC=C7O6)C8=C(C=C4)N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations