Geometry & MOs

Info

ID:	304170
PubChem CID:	124497889
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	-27.81
Dipole, Da:	7.46
IP(EA), eV:	-8.36(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione

Drug info:

PubChemData

Smile

CC(=O)N1CCCC[C@@H]1C2=CNC(=S)C=C2

DOS

IR

Vibrations