Geometry & MOs

Info

ID:	323229
PubChem CID:	126673718
Reduced:	IO7H37C39 (1)
Stoich.:	AB7C37D39 (1)
Weight, g/mol:	212.95377
ΔH_f, kcal/mol:	-201.87
Dipole, Da:	4.75
IP(EA), eV:	-8.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-[1,3]oxazolo[4,5-b]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C3=C(C=C2)OC4=C(C3C5=CC(=CC=C5)I)C6=C(C=C4)C=C(C=C6)OCC(=O)OC(C)(C)C

DOS

IR

Vibrations