Geometry & MOs

Info

ID:

324589

PubChem CID:

126677949

Reduced:

ON4H36C52 (1)

Stoich.:

AB4C36D52 (1)

Weight, g/mol:

659.268511

ΔHf, kcal/mol:

210.72

Dipole, Da:

1.1

IP(EA), eV:

 -8.04(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazinan-2-yl)-25-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)C3=CC(=CC=C3)N4C5=C(C=C6C7=CC=CC=C7OC6=C5)C8=C4C9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations