Geometry & MOs

Info

ID:	442632
PubChem CID:	135253509
Reduced:	ON3H31C51 (1)
Stoich.:	AB3C31D51 (1)
Weight, g/mol:	625.215412
ΔH_f, kcal/mol:	210.2
Dipole, Da:	1.69
IP(EA), eV:	-7.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4,6-dinaphthalen-2-ylpyrimidin-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)N6C7=C(C=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C16)C=C3

DOS

IR

Vibrations