Geometry & MOs

Info

ID:	41330
PubChem CID:	8145670
Reduced:	FO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	320.128469
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	2.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762472
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

CN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations