Geometry & MOs

Info

ID:	357606
PubChem CID:	127294279
Reduced:	SO3N4C17H32 (1)
Stoich.:	AB3C4D17E32 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-138.73
Dipole, Da:	8.07
IP(EA), eV:	-8.77(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations