Geometry & MOs

Info

ID:	283465
PubChem CID:	103983986
Reduced:	ClFN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	287.173273
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	1.79
IP(EA), eV:	-9.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCNC1)(CC2=C(C=NC=C2)Cl)F

DOS

IR

Vibrations