Geometry & MOs

Info

ID:	282617
PubChem CID:	103932899
Reduced:	FINO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-153.55
Dipole, Da:	3.69
IP(EA), eV:	-9.56(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCC(=O)O)C(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations