Geometry & MOs

Info

ID:	370568
PubChem CID:	127339703
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-7.35
Dipole, Da:	6.27
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC=CC=C3N(C)C(=O)C4CC4

DOS

IR

Vibrations