Geometry & MOs

Info

ID:	172471
PubChem CID:	75512824
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	3.69
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[(3-chloropyridin-2-yl)amino]methyl]benzoyl]piperazin-2-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCOC3=C2C=C(C=C3)F

DOS

IR

Vibrations