Geometry & MOs

Info

ID:	259015
PubChem CID:	103157949
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	217.167794
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	2.08
IP(EA), eV:	-9.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclopentyl-2-hydroxypropyl)amino]propane-1,2-diol

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)C2(CCCCC2)OC)CN

DOS

IR

Vibrations