Geometry & MOs

Info

ID:	442642
PubChem CID:	135253528
Reduced:	ON2H24C41 (1)
Stoich.:	AB2C24D41 (1)
Weight, g/mol:	601.215412
ΔH_f, kcal/mol:	164.85
Dipole, Da:	3.97
IP(EA), eV:	-8.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC4=C3C5=C(C=C4)C=C(C=C5)N6C7=C(C8=CC=CC=C8C=C7)C9=C6C=CC1=CC=CC=C19

DOS

IR

Vibrations