Geometry & MOs

Info

ID:	126471
PubChem CID:	50966284
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	26.69
Dipole, Da:	2.85
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(2-aminopyridin-3-yl)methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=CC=C2)O)C3=NC(=NC4=CC=CC=C43)CCN

DOS

IR

Vibrations