Geometry & MOs

Info

ID:	442633
PubChem CID:	135253513
Reduced:	ON3H27C45 (1)
Stoich.:	AB3C27D45 (1)
Weight, g/mol:	525.184112
ΔH_f, kcal/mol:	195.09
Dipole, Da:	3.79
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4,6-diphenylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(O2)C4=C(C=CC5=C4C=CC(=C5)C6=NC(=CC(=N6)C7=CC8=CC=CC=C8C=C7)C9=CC1=CC=CC=C1C=C9)C=C3

DOS

IR

Vibrations