Geometry & MOs

Info

ID:	368185
PubChem CID:	127327736
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	6.97
IP(EA), eV:	-9.26(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonylpiperidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations