Geometry & MOs

Info

ID:	314740
PubChem CID:	126622926
Reduced:	BrFO2N3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	333.123103
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	6.08
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(N=C(C=C1)NC(=O)[C@@H]2C[C@H](CN2)F)Br

DOS

IR

Vibrations