Geometry & MOs

Info

ID:

446287

PubChem CID:

135273806

Reduced:

N2H16C25 (2)

Stoich.:

A2B16C25 (2)

Weight, g/mol:

686.247047

ΔHf, kcal/mol:

262.95

Dipole, Da:

0.94

IP(EA), eV:

 -8.3(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)C(C7=CC=CC8=C7C6=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations