Geometry & MOs

Info

ID:	421909
PubChem CID:	135116823
Reduced:	NOC5H8 (4)
Stoich.:	ABC5D8 (4)
Weight, g/mol:	254.117904
ΔH_f, kcal/mol:	-172.62
Dipole, Da:	3.47
IP(EA), eV:	-8.75(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CC=CO2)C(C)C

DOS

IR

Vibrations