Geometry & MOs

Info

ID:	305664
PubChem CID:	124964594
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	298.215747
ΔH_f, kcal/mol:	-77.91
Dipole, Da:	4.73
IP(EA), eV:	-9.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyrazol-3-yl)-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=CN=C(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations