Geometry & MOs

Info

ID:	333840
PubChem CID:	127252392
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	28.37
Dipole, Da:	2.85
IP(EA), eV:	-9.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)-[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CC=NN2C)C3=CC=NN3

DOS

IR

Vibrations