Geometry & MOs

Info

ID:	253203
PubChem CID:	103116757
Reduced:	IN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	8.69
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazole-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)I)C(=O)O

DOS

IR

Vibrations