Geometry & MOs

Info

ID:	198844
PubChem CID:	79160746
Reduced:	FN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	276.127406
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	5.44
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)NC2=C(C=C(C=C2)C#CCO)F

DOS

IR

Vibrations