Geometry & MOs

Info

ID:	139078
PubChem CID:	52469355
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	371.145676
ΔH_f, kcal/mol:	-126.67
Dipole, Da:	4.52
IP(EA), eV:	-9.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)COC(=O)CC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations