Geometry & MOs

Info

ID:

325360

PubChem CID:

126682911

Reduced:

N5H23C36 (1)

Stoich.:

A5B23C36 (1)

Weight, g/mol:

600.231397

ΔHf, kcal/mol:

217.65

Dipole, Da:

4.64

IP(EA), eV:

 -8.17(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C4C(=CC=C3)N(C5=CC=CC=C5C4=C2)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations