Geometry & MOs

Info

ID:	282616
PubChem CID:	103932894
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	405.02372
ΔH_f, kcal/mol:	-117.66
Dipole, Da:	3.87
IP(EA), eV:	-9.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluoro-2-iodobenzoyl)piperidin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=NC=C2)Cl)CCC(=O)O

DOS

IR

Vibrations