Geometry & MOs

Info

ID:	350918
PubChem CID:	127279206
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-8.87
Dipole, Da:	5.93
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CN3CCCC3C4=CC5=C(C=C4)OCO5)C1

DOS

IR

Vibrations