Geometry & MOs

Info

ID:	260902
PubChem CID:	103208930
Reduced:	N2F3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	251.1333
ΔH_f, kcal/mol:	-223.74
Dipole, Da:	5.14
IP(EA), eV:	-9.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)O)COCC(F)(F)F

DOS

IR

Vibrations