Geometry & MOs

Info

ID:	55226
PubChem CID:	17389923
Reduced:	ClN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-54.52
Dipole, Da:	4.03
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-3-(4-methylphenyl)-2H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=O)ON2)CCN.Cl

DOS

IR

Vibrations