Geometry & MOs

Info

ID:	368192
PubChem CID:	127327743
Reduced:	SO4N5C16H17 (1)
Stoich.:	AB4C5D16E17 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	5.49
IP(EA), eV:	-9.46(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-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(C=C3)NC(=O)C(=O)N4

DOS

IR

Vibrations