Geometry & MOs

Info

ID:	145953
PubChem CID:	53618127
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	58.93
Dipole, Da:	9.95
IP(EA), eV:	-9.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCOC2=CC=C(C=C2)C#N)CN3C=NC=N3

DOS

IR

Vibrations