Geometry & MOs

Info

ID:	441664
PubChem CID:	135239386
Reduced:	ClSN4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	257.087492
ΔH_f, kcal/mol:	56.31
Dipole, Da:	5.92
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypyrrolidin-1-yl)ethanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=C(S2)C=CC(=N3)Cl

DOS

IR

Vibrations