Geometry & MOs

Info

ID:	314807
PubChem CID:	126623351
Reduced:	BrFON3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	287.00695
ΔH_f, kcal/mol:	-81.65
Dipole, Da:	3.98
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(C=C1)Br)N2C[C@@H](C[C@H]2C(=O)N)F

DOS

IR

Vibrations