Geometry & MOs

Info

ID:	291732
PubChem CID:	113461013
Reduced:	BrClF2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	309.00006
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	3.73
IP(EA), eV:	-9.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-bromo-5-methylphenyl)-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(C2=C(C=C(C(=C2)F)C)F)Cl

DOS

IR

Vibrations