Geometry & MOs

Info

ID:	306168
PubChem CID:	125002084
Reduced:	OSN6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	49.04
Dipole, Da:	3.17
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[(2S)-4-propylsulfonylmorpholin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CN3CCO[C@H](C3)C4=NC(=CC(=C4)NC5=NC=C(S5)C)C

DOS

IR

Vibrations