Geometry & MOs

Info

ID:	343402
PubChem CID:	127266575
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	280.168797
ΔH_f, kcal/mol:	-166.36
Dipole, Da:	4.88
IP(EA), eV:	-8.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-ethynylpiperidin-1-yl)methyl]-1-methylpyrazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CNC1=O)NS(=O)(=O)CC(C(C)C)OC

DOS

IR

Vibrations