Geometry & MOs

Info

ID:	200414
PubChem CID:	79385542
Reduced:	ClFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-71.42
Dipole, Da:	2.15
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)Cl)NCCC(=O)NC2CC2

DOS

IR

Vibrations