Geometry & MOs

Info

ID:	28118
PubChem CID:	825708
Reduced:	FN7C14H18 (1)
Stoich.:	AB7C14D18 (1)
Weight, g/mol:	294.98441
ΔH_f, kcal/mol:	33.68
Dipole, Da:	4.94
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-bromophenyl)-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC(=N2)NN)NC3=CC=C(C=C3)F

DOS

IR

Vibrations