Geometry & MOs

Info

ID:	197999
PubChem CID:	79028489
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	3.22
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCN2CCC[C@H]2CO

DOS

IR

Vibrations