Geometry & MOs

Info

ID:	165070
PubChem CID:	74494323
Reduced:	FN3O3C29H29 (1)
Stoich.:	AB3C3D29E29 (1)
Weight, g/mol:	398.190223
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100881
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=CC=C(C=C2)OCCC3=CC=CC=C3F)C(=O)C4=CN=C5C=CC=C[NH+]5C4=O

DOS

IR

Vibrations