Geometry & MOs

Info

ID:	278776
PubChem CID:	103837958
Reduced:	FSN3O4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-146.75
Dipole, Da:	6.45
IP(EA), eV:	-10.16(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylpentan-3-ylamino)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)S(=O)(=O)NCCOCC(=O)N)C#N)F

DOS

IR

Vibrations