Geometry & MOs

Info

ID:	359319
PubChem CID:	127298333
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	4.46
IP(EA), eV:	-9.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCN(CC2)C(=O)C3=NNN=C3

DOS

IR

Vibrations