Geometry & MOs

Info

ID:

324712

PubChem CID:

126678190

Reduced:

ON5H33C45 (1)

Stoich.:

AB5C33D45 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

194.96

Dipole, Da:

3.78

IP(EA), eV:

 -8.05(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-(4-naphthalen-2-ylquinazolin-2-yl)-15-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)C2NC(NC(N2)N3C4=C(C5=C3C=CC6=C5C7=CC=CC=C7O6)C8=C(C=C4)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations