Geometry & MOs

Info

ID:

41328

PubChem CID:

8145668

Reduced:

FO3N4C19H24 (1)

Stoich.:

AB3C4D19E24 (1)

Weight, g/mol:

374.175419

ΔHf, kcal/mol:

-119.96

Dipole, Da:

10.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771238

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations