Geometry & MOs

Info

ID:	333459
PubChem CID:	127252011
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	11.77
Dipole, Da:	6.05
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[6-(pyrazin-2-ylamino)pyridin-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)NC3=NC=CC=N3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations