Geometry & MOs

Info

ID:	398026
PubChem CID:	135031411
Reduced:	BrN2O3H17C24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	639.236936
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	4.87
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=COC5=C(C4=O)C=C(C=C5)Br

DOS

IR

Vibrations