Geometry & MOs

Info

ID:	77293
PubChem CID:	48426026
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	347.16452
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	3.25
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC1=NC=C(O1)C2=CC=CC=C2Cl

DOS

IR

Vibrations