Geometry & MOs

Info

ID:	305607
PubChem CID:	124962046
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	8.65
IP(EA), eV:	-8.94(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]sulfonylpyridine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCC[C@H]2C(=O)N(C)C

DOS

IR

Vibrations