Geometry & MOs

Info

ID:

324576

PubChem CID:

126677924

Reduced:

ON4H34C52 (1)

Stoich.:

AB4C34D52 (1)

Weight, g/mol:

659.268511

ΔHf, kcal/mol:

229.63

Dipole, Da:

1.79

IP(EA), eV:

 -8.06(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazinan-2-yl)-5-phenyl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(N2)C3=CC(=CC=C3)N4C5=C(C=C6C(=C5)C7=CC=CC=C7O6)C8=C4C9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations