Geometry & MOs

Info

ID:	282734
PubChem CID:	103937470
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	329.123169
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	5.05
IP(EA), eV:	-9.0(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)N2CC3CCC(C2)O3)N

DOS

IR

Vibrations