Geometry & MOs

Info

ID:	441270
PubChem CID:	135233874
Reduced:	ON4H32C50 (1)
Stoich.:	AB4C32D50 (1)
Weight, g/mol:	600.220164
ΔH_f, kcal/mol:	233.33
Dipole, Da:	3.17
IP(EA), eV:	-8.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diphenyl-6-(8-pyren-1-yl-5a,6-dihydrodibenzofuran-1-yl)pyrimidine

Drug info:

PubChemData

Smile

C1C=C2C3=CC=CC=C3C4=CC=CC=C4C2=CC1C5=CN=C(C=C5)C6=CC7=C(C=C6)OC8=CC=CC(=C87)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations