Geometry & MOs

Info

ID:	333451
PubChem CID:	127252003
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	374.185509
ΔH_f, kcal/mol:	60.24
Dipole, Da:	6.48
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(pyrazin-2-ylamino)pyridin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)NC3=NC=CC=N3)C(=O)CC4=CN=CC=C4

DOS

IR

Vibrations