Geometry & MOs

Info

ID:	259068
PubChem CID:	103158141
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-162.17
Dipole, Da:	2.8
IP(EA), eV:	-9.42(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)OCC1CCCCC1)CN

DOS

IR

Vibrations