Geometry & MOs

Info

ID:	313384
PubChem CID:	126614196
Reduced:	NOBr2H23C36 (1)
Stoich.:	ABC2D23E36 (1)
Weight, g/mol:	527.199762
ΔH_f, kcal/mol:	128.78
Dipole, Da:	4.43
IP(EA), eV:	-8.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)N4C5=C(C=C(C=C5)Br)OC6=C4C=CC(=C6)Br)C7=CC=CC=C7

DOS

IR

Vibrations