Geometry & MOs

Info

ID:	195839
PubChem CID:	78741379
Reduced:	ClN2O6C16H19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-229.44
Dipole, Da:	5.98
IP(EA), eV:	-8.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CNC(=O)COC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2OC)OC)Cl

DOS

IR

Vibrations