Geometry & MOs

Info

ID:	370950
PubChem CID:	127341499
Reduced:	S2N3O3C13H23 (1)
Stoich.:	A2B3C3D13E23 (1)
Weight, g/mol:	355.204196
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	3.8
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CN(CC1CC1)S(=O)(=O)N2CSCC2C(=O)N(C)C3CC3

DOS

IR

Vibrations