Geometry & MOs

Info

ID:	134327
PubChem CID:	51681178
Reduced:	FNOC6H7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-166.27
Dipole, Da:	3.87
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)NC2=C(C=C(C=C2)F)F)O

DOS

IR

Vibrations