Geometry & MOs

Info

ID:	260905
PubChem CID:	103209066
Reduced:	NF2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	237.11765
ΔH_f, kcal/mol:	-220.85
Dipole, Da:	2.94
IP(EA), eV:	-9.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CO)CNC(=O)CCOCC(F)F

DOS

IR

Vibrations