Geometry & MOs

Info

ID:	32562
PubChem CID:	7844802
Reduced:	BrNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	5.47
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations