Geometry & MOs

Info

ID:	259058
PubChem CID:	103158113
Reduced:	NO3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-174.18
Dipole, Da:	2.1
IP(EA), eV:	-9.41(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)CC(CN)OC

DOS

IR

Vibrations