Geometry & MOs

Info

ID:	69948
PubChem CID:	47205893
Reduced:	ClON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	4.39
IP(EA), eV:	-9.23(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-fluorophenoxy)ethylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC=C(C=C2)C(=O)N.Cl

DOS

IR

Vibrations