Geometry & MOs

Info

ID:

324626

PubChem CID:

126678015

Reduced:

ON2H32C54 (1)

Stoich.:

AB2C32D54 (1)

Weight, g/mol:

731.268511

ΔHf, kcal/mol:

209.61

Dipole, Da:

1.27

IP(EA), eV:

 -8.08(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C5=C(C=C4)OC6=CC=CC=C65)C7=C(C=C3)C8=CC=CC=C8N7C9=CC=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C1=CC=CC=C12

DOS

IR

Vibrations