Geometry & MOs

Info

ID:

324630

PubChem CID:

126678020

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

225.73

Dipole, Da:

5.07

IP(EA), eV:

 -8.03(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-26-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=CC4=C3C5=CC=CC=C5N4C6=NC7=CC=CC=C7C(=N6)C8=CC9=CC=CC=C9C=C8)C1=C2C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations