Geometry & MOs

Info

ID:	350076
PubChem CID:	127276949
Reduced:	F3N6C19H25 (1)
Stoich.:	A3B6C19D25 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	3.94
IP(EA), eV:	-8.6(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-5-[[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2CC3=NN=NN3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations