Geometry & MOs

Info

ID:	135795
PubChem CID:	51937764
Reduced:	O2F3N3C12H12 (1)
Stoich.:	A2B3C3D12E12 (1)
Weight, g/mol:	287.088161
ΔH_f, kcal/mol:	-215.24
Dipole, Da:	4.17
IP(EA), eV:	-9.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-oxo-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN(C1=O)CC(F)(F)F)C(=O)NC2=CN=CC=C2

DOS

IR

Vibrations