Geometry & MOs

Info

ID:

325040

PubChem CID:

126679343

Reduced:

ON4H30C52 (1)

Stoich.:

AB4C30D52 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

245.03

Dipole, Da:

5.19

IP(EA), eV:

 -7.92(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-2-yl-18-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=C5C8=C(C=C7)C9=CC=CC=C9N8C1=CC2=CC=CC=C2C=C1)C1=C(C=C6)C2=CC=CC=C2O1

DOS

IR

Vibrations