Geometry & MOs

Info

ID:	330418
PubChem CID:	127247405
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	24.66
Dipole, Da:	8.05
IP(EA), eV:	-9.16(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCN1C=CC(=N1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations