Geometry & MOs

Info

ID:	366734
PubChem CID:	127320263
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	4.72
IP(EA), eV:	-9.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylphenyl)methylsulfonyl]-3-(1,2,4-triazol-1-yl)piperidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(COC3)C=C2)N4C=NC=N4

DOS

IR

Vibrations