Geometry & MOs

Info

ID:	350130
PubChem CID:	127277208
Reduced:	SN2O3C20H34 (1)
Stoich.:	AB2C3D20E34 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-150.37
Dipole, Da:	5.4
IP(EA), eV:	-8.71(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCCC3CN4CCCCC4)C

DOS

IR

Vibrations