Geometry & MOs

Info

ID:	202797
PubChem CID:	79728346
Reduced:	ClFON3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	243.093853
ΔH_f, kcal/mol:	-67.46
Dipole, Da:	5.12
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-3-fluoropyridin-2-yl)-2,2-dimethylpiperazine

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC2=C(C=C(C=N2)Cl)F

DOS

IR

Vibrations