Geometry & MOs

Info

ID:

324687

PubChem CID:

126678135

Reduced:

ON2H30C50 (1)

Stoich.:

AB2C30D50 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

195.15

Dipole, Da:

1.28

IP(EA), eV:

 -7.98(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-phenyl-15-[3-(4-phenylquinazolin-2-yl)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)N2C3=C(C=C(C=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64)C7=C2C=CC8=C7N(C9=C8C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations