Geometry & MOs

Info

ID:	207047
PubChem CID:	80338785
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	1.6
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[1-(propylamino)ethyl]pyridin-2-yl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)SCCOC)N

DOS

IR

Vibrations