Geometry & MOs

Info

ID:	371856
PubChem CID:	131275778
Reduced:	BrClON2F3H5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	-182.12
Dipole, Da:	2.98
IP(EA), eV:	-9.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-3-one

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)CCl)N)Br)OC(F)(F)F

DOS

IR

Vibrations