Geometry & MOs

Info

ID:

324500

PubChem CID:

126677771

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

227.52

Dipole, Da:

4.41

IP(EA), eV:

 -7.83(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C6=C4C=CC7=C6C8=CC=CC=C8N7C9=CC=CC1=CC=CC=C19)C1=C(C=C5)C2=CC=CC=C2O1

DOS

IR

Vibrations