Geometry & MOs

Info

ID:	295267
PubChem CID:	117523984
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	243.064391
ΔH_f, kcal/mol:	58.3
Dipole, Da:	5.55
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-2-pyridin-4-yl-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NC(=C3N2N=CC=C3)Br

DOS

IR

Vibrations