Geometry & MOs

Info

ID:	55329
PubChem CID:	17390058
Reduced:	ClNSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	142.074228
ΔH_f, kcal/mol:	-130.14
Dipole, Da:	3.65
IP(EA), eV:	-9.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)NC(=O)C)S(=O)(=O)Cl

DOS

IR

Vibrations