Geometry & MOs

Info

ID:	201409
PubChem CID:	79536389
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	6.77
IP(EA), eV:	-8.36(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC(C(C1)NC2=C(C=CC(=C2)C(=O)N)F)C3CCCN3

DOS

IR

Vibrations