Geometry & MOs

Info

ID:

324699

PubChem CID:

126678150

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

657.252861

ΔHf, kcal/mol:

257.85

Dipole, Da:

4.9

IP(EA), eV:

 -8.15(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=CC5=C4C6=CC=CC=C6O5)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations