Geometry & MOs

Info

ID:	259028
PubChem CID:	103158029
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	6.76
IP(EA), eV:	-9.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(3-ethylthiophen-2-yl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)C)CN

DOS

IR

Vibrations