Geometry & MOs

Info

ID:	63419
PubChem CID:	26758297
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	343.144453
ΔH_f, kcal/mol:	-138.29
Dipole, Da:	4.9
IP(EA), eV:	-8.28(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations