Geometry & MOs

Info

ID:

324752

PubChem CID:

126678269

Reduced:

ON4H26C44 (1)

Stoich.:

AB4C26D44 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

208.34

Dipole, Da:

4.8

IP(EA), eV:

 -8.06(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-10-oxa-15,24-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=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)C8=C(N7C9=CC=CC=C9)C=CC1=C8C2=CC=CC=C2O1

DOS

IR

Vibrations