Geometry & MOs

Info

ID:	135794
PubChem CID:	51937506
Reduced:	N3O3C24H32 (1)
Stoich.:	A3B3C24D32 (1)
Weight, g/mol:	287.088161
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.904289
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@@H](CNC(=O)[C@@H]2CCCN(C2)C(=O)CC3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations