Geometry & MOs

Info

ID:

325338

PubChem CID:

126682817

Reduced:

N5H23C36 (1)

Stoich.:

A5B23C36 (1)

Weight, g/mol:

525.195346

ΔHf, kcal/mol:

248.53

Dipole, Da:

2.86

IP(EA), eV:

 -8.28(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(2,6-diphenylpyrimidin-4-yl)-8-phenyl-8,14,16-triazatetracyclo[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=CC(=NC(=N2)C3=NC4=C5C(=CC=C4)N(C6=CC=CC=C6C5=N3)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations