Geometry & MOs

Info

ID:	39287
PubChem CID:	8140060
Reduced:	NOC7H10 (3)
Stoich.:	ABC7D10 (3)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-86.68
Dipole, Da:	18.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756562
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3,5-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O

DOS

IR

Vibrations