Geometry & MOs

Info

ID:	337276
PubChem CID:	127256958
Reduced:	NF3O3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-282.73
Dipole, Da:	4.78
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-3-yn-2-yl piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CNC1)C(=O)OCC(=O)C(F)(F)F

DOS

IR

Vibrations