Geometry & MOs

Info

ID:	198704
PubChem CID:	79139236
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	8.55
Dipole, Da:	0.48
IP(EA), eV:	-9.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=C(N=CO2)CN

DOS

IR

Vibrations