Geometry & MOs

Info

ID:	17187
PubChem CID:	487229
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-89.76
Dipole, Da:	3.78
IP(EA), eV:	-9.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CC=CC=C1)NOC(=O)C2=CN=CC=C2

DOS

IR

Vibrations