Geometry & MOs

Info

ID:	355289
PubChem CID:	127288246
Reduced:	ON7C17H23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	316.147016
ΔH_f, kcal/mol:	63.61
Dipole, Da:	8.9
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C3=CC(=NC4=NC=NN34)COC

DOS

IR

Vibrations