Geometry & MOs

Info

ID:	165098
PubChem CID:	74499978
Reduced:	OSN5C20H31 (1)
Stoich.:	ABC5D20E31 (1)
Weight, g/mol:	499.215031
ΔH_f, kcal/mol:	122.76
Dipole, Da:	55.93
IP(EA), eV:	-3.84(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

DOS

IR

Vibrations