Geometry & MOs

Info

ID:

324690

PubChem CID:

126678138

Reduced:

ON4H26C44 (1)

Stoich.:

AB4C26D44 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

211.73

Dipole, Da:

3.77

IP(EA), eV:

 -7.94(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C6=C4C7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=C(C=C5)C2=CC=CC=C2O1

DOS

IR

Vibrations