Geometry & MOs

Info

ID:	259065
PubChem CID:	103158133
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	1.87
IP(EA), eV:	-9.18(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)OCC1=CC=CS1)CN

DOS

IR

Vibrations