Geometry & MOs

Info

ID:	272109
PubChem CID:	103724173
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	266.091141
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	3.83
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC(=CS1)C#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations