Geometry & MOs

Info

ID:	333847
PubChem CID:	127252399
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	295.110296
ΔH_f, kcal/mol:	-15.99
Dipole, Da:	0.56
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(1H-pyrazol-5-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine

Drug info:

PubChemData

Smile

CC1=NC(=CO1)CN2CCOCC(C2)CC3=NC=CC=N3

DOS

IR

Vibrations