Geometry & MOs

Info

ID:	358068
PubChem CID:	127295613
Reduced:	SO2N4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	326.177647
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	5.55
IP(EA), eV:	-8.67(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]piperidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations