Geometry & MOs

Info

ID:	373710
PubChem CID:	131319040
Reduced:	BrN3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	284.9749
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	9.17
IP(EA), eV:	-9.38(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-bromo-5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NC(=N2)C(=O)OC)Br)NO1

DOS

IR

Vibrations