Geometry & MOs

Info

ID:

324749

PubChem CID:

126678266

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

226.71

Dipole, Da:

3.15

IP(EA), eV:

 -7.96(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=C(C=C7C8=CC=CC=C8OC7=C6)C9=C5C1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations