Geometry & MOs

Info

ID:

325077

PubChem CID:

126680167

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

232.61

Dipole, Da:

5.09

IP(EA), eV:

 -7.92(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2C4=CC=CC=C4C=C3)N5C6=C(C=CC7=C6C8=CC=CC=C8N7C9=CC=CC=C9)C1=C5C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations