Geometry & MOs

Info

ID:	137558
PubChem CID:	52228041
Reduced:	SO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	73.48
Dipole, Da:	3.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.956059
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R)-3-ethylpiperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=C(O2)C)CSC3=NC(=CC(=N3)[O-])C4=CC=NC=C4

DOS

IR

Vibrations