Geometry & MOs

Info

ID:	259040
PubChem CID:	103158067
Reduced:	NO4C9H19 (1)
Stoich.:	AB4C9D19 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-185.75
Dipole, Da:	3.3
IP(EA), eV:	-9.49(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

COCCCOC(=O)CC(CN)OC

DOS

IR

Vibrations