Geometry & MOs

Info

ID:	359326
PubChem CID:	127298373
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	8.11
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations