Geometry & MOs

Info

ID:	71155
PubChem CID:	48414368
Reduced:	N2O2F3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	386.175419
ΔH_f, kcal/mol:	-169.92
Dipole, Da:	4.66
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)COCC(F)(F)F

DOS

IR

Vibrations