Geometry & MOs

Info

ID:	306392
PubChem CID:	125011550
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	29.84
Dipole, Da:	4.17
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[2-(methylamino)pyridin-4-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)[C@@H]2CCCN(C2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations