Geometry & MOs

Info

ID:	368189
PubChem CID:	127327740
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	6.71
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations