Geometry & MOs

Info

ID:	356442
PubChem CID:	127291515
Reduced:	SO3N6C17H20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	358.121195
ΔH_f, kcal/mol:	7.1
Dipole, Da:	8.94
IP(EA), eV:	-9.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)S(=O)(=O)N3CCCC(C3)C4=NN=C5N4CCC5

DOS

IR

Vibrations