Geometry & MOs

Info

ID:	305511
PubChem CID:	124958063
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	336.206245
ΔH_f, kcal/mol:	22.54
Dipole, Da:	1.87
IP(EA), eV:	-8.44(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CN1CCN(C[C@H]1C2=CC=C(C=C2)OC)CC3=NC=CS3

DOS

IR

Vibrations