Geometry & MOs

Info

ID:	132046
PubChem CID:	51298811
Reduced:	ClO2F3N3H15C16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-180.36
Dipole, Da:	2.52
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=COC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations