Geometry & MOs

Info

ID:	63460
PubChem CID:	26758386
Reduced:	NF2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-215.85
Dipole, Da:	5.94
IP(EA), eV:	-8.37(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations