Geometry & MOs

Info

ID:	330401
PubChem CID:	127247388
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	17.67
Dipole, Da:	4.6
IP(EA), eV:	-9.47(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCN2C=CN=C2)C3=CC=NN3

DOS

IR

Vibrations