Geometry & MOs

Info

ID:

324747

PubChem CID:

126678264

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

227.1

Dipole, Da:

4.08

IP(EA), eV:

 -8.04(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-[4-(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)N4C5=C(C=C6C7=CC=CC=C7OC6=C5)C8=C4C9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations