Geometry & MOs

Info

ID:

324498

PubChem CID:

126677767

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

249.9

Dipole, Da:

3.56

IP(EA), eV:

 -7.82(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-26-[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=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=C8C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations