Geometry & MOs

Info

ID:	353695
PubChem CID:	127285272
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	7.25
IP(EA), eV:	-9.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations