Geometry & MOs

Info

ID:	350131
PubChem CID:	127277209
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	5.95
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2S(=O)(=O)C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations