Geometry & MOs

Info

ID:	377936
PubChem CID:	134224002
Reduced:	ON3H27C38 (1)
Stoich.:	AB3C27D38 (1)
Weight, g/mol:	607.225977
ΔH_f, kcal/mol:	154.63
Dipole, Da:	2.22
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylmethoxyphenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C3=C2N=CC=C3)C4=CC=C(C=C4)C5=CN=CC=C5)C6=CC=C(C=C6)C7=CN=CC=C7

DOS

IR

Vibrations