Geometry & MOs

Info

ID:

325188

PubChem CID:

126681835

Reduced:

N7H31C49 (1)

Stoich.:

A7B31C49 (1)

Weight, g/mol:

739.273596

ΔHf, kcal/mol:

308.25

Dipole, Da:

7.37

IP(EA), eV:

 -8.81(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[10-(4-phenanthren-9-yl-6-phenylpyrimidin-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C4=CC=CC=C43)C5=CC=C(C6=CC=CC=C65)C7=NC(=NC(=N7)C8=CN=CC=C8)C9=CN=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations