Geometry & MOs

Info

ID:

325038

PubChem CID:

126679338

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

222.31

Dipole, Da:

1.77

IP(EA), eV:

 -8.04(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=CC5=C4C6=CC=CC=C6O5)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=C2C=CC=C3C2=C(C=C1)C1=CC=CC=C13

DOS

IR

Vibrations