Geometry & MOs

Info

ID:

440937

PubChem CID:

135232350

Reduced:

NH10C16 (2)

Stoich.:

AB10C16 (2)

Weight, g/mol:

587.210996

ΔHf, kcal/mol:

144.38

Dipole, Da:

2.37

IP(EA), eV:

 -7.89(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),2(10),3,5,7,11,13,15,17,19(27),20,22,24-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C6C(=C5)C7=CC=CC=C7N6)C8=CC=CC=C84

DOS

IR

Vibrations