Geometry & MOs

Info

ID:	287501
PubChem CID:	104245549
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	2.96
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=NC(=NO1)C2CSCCO2)C3CCCC3

DOS

IR

Vibrations