Geometry & MOs

Info

ID:	259066
PubChem CID:	103158134
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	1.21
IP(EA), eV:	-9.11(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CS1)NCC(CC2CCCC2)O

DOS

IR

Vibrations