Geometry & MOs

Info

ID:	39104
PubChem CID:	8139704
Reduced:	BrClON2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	5.78
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations