Geometry & MOs

Info

ID:	356446
PubChem CID:	127291519
Reduced:	SO2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	2.71
Dipole, Da:	3.94
IP(EA), eV:	-9.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

Drug info:

PubChemData

Smile

CN1C(=CC=N1)S(=O)(=O)N2CCCC(C2)C3=NN=C4N3CCC4

DOS

IR

Vibrations