Geometry & MOs

Info

ID:	314787
PubChem CID:	126623101
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	288.02735
ΔH_f, kcal/mol:	-247.81
Dipole, Da:	3.16
IP(EA), eV:	-10.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-(6-bromopyridin-2-yl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCCCOC(=O)N1C(CC(C1O)C)C(=O)OC

DOS

IR

Vibrations