Geometry & MOs

Info

ID:	39092
PubChem CID:	8139681
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	359.092436
ΔH_f, kcal/mol:	11.29
Dipole, Da:	4.21
IP(EA), eV:	-8.28(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations