Geometry & MOs

Info

ID:

440930

PubChem CID:

135232291

Reduced:

N2H14C23 (2)

Stoich.:

A2B14C23 (2)

Weight, g/mol:

614.247047

ΔHf, kcal/mol:

252.67

Dipole, Da:

4.59

IP(EA), eV:

 -7.85(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

27-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-27-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(28),21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=C4C7=CC=CC=C7C8=C6C9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1

DOS

IR

Vibrations