Geometry & MOs

Info

ID:

325191

PubChem CID:

126681877

Reduced:

N5H37C57 (1)

Stoich.:

A5B37C57 (1)

Weight, g/mol:

689.257946

ΔHf, kcal/mol:

305.51

Dipole, Da:

1.69

IP(EA), eV:

 -8.82(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[12-(4,6-diphenylpyrimidin-2-yl)chrysen-6-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C4=CC=C(C5=CC=CC=C54)C6=CC=C(C7=CC=CC=C76)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations