Geometry & MOs

Info

ID:	80078
PubChem CID:	49832682
Reduced:	FON5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	23.66
Dipole, Da:	1.04
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloropyridin-2-yl)methoxy]-1-(6-piperazin-1-ylpyridin-3-yl)pyridin-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)OC)NC2CC[C@@H](C2)C3=CC=C(C=C3)C4=NNN=N4

DOS

IR

Vibrations