Geometry & MOs

Info

ID:

324555

PubChem CID:

126677889

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

209.88

Dipole, Da:

3.09

IP(EA), eV:

 -7.87(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-naphthalen-1-yl-15-(4-phenylquinazolin-2-yl)-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(=C1)C=CC=C2N3C4=C(C5=C3C=C6C(=C5)C7=CC=CC=C7O6)C8=C(C=C4)N(C9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations