Geometry & MOs

Info

ID:	39297
PubChem CID:	8140105
Reduced:	ON2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	393.118793
ΔH_f, kcal/mol:	-1.53
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005322
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations