Geometry & MOs

Info

ID:	55225
PubChem CID:	17389922
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	254.082205
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	5.85
IP(EA), eV:	-8.94(-0.68)
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;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(C(=O)NN2)CCN

DOS

IR

Vibrations