Geometry & MOs

Info

ID:	424314
PubChem CID:	135122173
Reduced:	BrN2O2H3C7 (1)
Stoich.:	AB2C2D3E7 (1)
Weight, g/mol:	240.03017
ΔH_f, kcal/mol:	22.53
Dipole, Da:	4.91
IP(EA), eV:	-10.6(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloropyridin-3-yl)-3-(methoxymethoxy)-1,2-oxazole

Drug info:

PubChemData

Smile

C1=C(N=CC(=N1)Br)C#CC(=O)O

DOS

IR

Vibrations